3-(4-aminophenyl)-2-methoxypropionic acid

Synopsis, Chemistry

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3-(4-aminophenyl)-2-methoxypropionic acid

Also known as: 3-(4-aminophenyl)-2-methoxypropanoic acid, 921195-92-8, Schembl720354, Mfcd32690986, Sy268138, (+/-)-2-methoxy-3-(4'-aminophenyl)-propionic acid

Molecular Formula

C₁₀H₁₃NO₃

Molecular Weight

195.21 g/mol

InChI Key

QLJYLJGYIDIJPT-UHFFFAOYSA-N

1 2D Structure

3-(4-aminophenyl)-2-methoxypropionic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-aminophenyl)-2-methoxypropanoic acid

2.1.2 InChI

InChI=1S/C10H13NO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11H2,1H3,(H,12,13)

2.1.3 InChI Key

QLJYLJGYIDIJPT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(CC1=CC=C(C=C1)N)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ged-0507-34l

2.2.2 Depositor-Supplied Synonyms

1. 3-(4-aminophenyl)-2-methoxypropanoic Acid

2. 921195-92-8

3. Schembl720354

4. Mfcd32690986

5. Sy268138

6. (+/-)-2-methoxy-3-(4'-aminophenyl)-propionic Acid

2.3 Create Date

2007-03-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO₃
Molecular Weight	195.21 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	195.08954328 g/mol
Monoisotopic Mass	195.08954328 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1