CAS 74892-81-2

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Also known as: 74892-81-2, 74874-06-9, (2r,4r)-4-methylpipecolinic acid, (2r,4r)-4-methyl-2-piperidinecarboxylic acid, Mfcd03839858, (2r,4r)-4-methyl-2-pipecolic acid

Molecular Formula

C₇H₁₃NO₂

Molecular Weight

143.18 g/mol

InChI Key

UQHCHLWYGMSPJC-PHDIDXHHSA-N

1 2D Structure

CAS 74892-81-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,4R)-4-methylpiperidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1

2.1.3 InChI Key

UQHCHLWYGMSPJC-PHDIDXHHSA-N

2.1.4 Canonical SMILES

CC1CCNC(C1)C(=O)O

2.1.5 Isomeric SMILES

C[C@@H]1CCN[C@H](C1)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 74892-81-2

2. 74874-06-9

3. (2r,4r)-4-methylpipecolinic Acid

4. (2r,4r)-4-methyl-2-piperidinecarboxylic Acid

5. Mfcd03839858

6. (2r,4r)-4-methyl-2-pipecolic Acid

7. Rel-(2r,4r)-4-methyl-2-pipecolicacid

8. (2r,4r)-4-methyl-pipecolinic Acid

9. 2-carboxy-4-methylpiperidine

10. Schembl60184

11. Dtxsid90415346

12. Uqhchlwygmspjc-phdidxhhsa-n

13. (2r,4r)-4-methyl Pipecolic Acid

14. Amy21985

15. Ac-621

16. Akos006276439

17. Akos015840158

18. Cs-w006639

19. As-18534

20. (2r,4r)-4-methyl-2-piperidinecarboxylate

21. (2r,4r)-4-methylpiperidine-2-carboxylicacid

22. (2r,4r)-4-methyl-piperidine-2-carboxylic Acid

23. En300-1719836

24. A838255

25. Rac-(2r,4r)-4-methylpiperidine-2-carboxylic Acid

26. 2-piperidinecarboxylic Acid, 4-methyl-, (2r,4r)-

27. Q-103049

28. (2r,4r)-4-methylhexahydropyridine-2-carboxylic Acid

29. Q27463086

2.3 Create Date

2005-11-29

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₂
Molecular Weight	143.18 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.3
Heavy Atom Count	10
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1