1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;(2S)-2,4-diamino-4-oxobutanoate

2.1.2 InChI

InChI=1S/C4H8N2O3.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1

2.1.3 InChI Key

NRFNNNBFDIFBLS-DKWTVANSSA-M

2.1.4 Canonical SMILES

C(C(C(=O)[O-])N)C(=O)N.[K+]

2.1.5 Isomeric SMILES

C([C@@H](C(=O)[O-])N)C(=O)N.[K+]

2.2 Other Identifiers

2.2.1 UNII

P1CVX5FD7Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Asparagine Potassium

2. L-asparagine, Monopotassium Salt

3. P1cvx5fd7y

4. L-asparagine, Potassium Salt (1:1)

5. 37707-20-3

6. Unii-p1cvx5fd7y

7. Schembl7780264

8. Dtxsid00191144

9. Q27286004

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄H₇KN₂O₃
Molecular Weight	170.21 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	170.00937357 g/mol
Monoisotopic Mass	170.00937357 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

UNII-P1CVX5FD7Y