(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid

C11H14ClNO3 — CID 51690857

IUPAC(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
SMILESCOc1ccc(Cl)cc1CN[C@H](C)C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7(11(14)15)13-6-8-5-9(12)3-4-10(8)16-2/h3-5,7,13H,6H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyPZXZXLKKXUHLBH-SSDOTTSWSA-N
MW243.69 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid

(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid (PubChem CID 51690857) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
PubChem CID51690857
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
SMILESCOc1ccc(Cl)cc1CN[C@H](C)C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7(11(14)15)13-6-8-5-9(12)3-4-10(8)16-2/h3-5,7,13H,6H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyPZXZXLKKXUHLBH-SSDOTTSWSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
(2S)-2-[(5-chloro-2-nitrophenyl)methylamino]propanoic acid
CID 83194014
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid (CID 51690857) is (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid is COc1ccc(Cl)cc1CN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid?
The InChIKey is PZXZXLKKXUHLBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(11(14)15)13-6-8-5-9(12)3-4-10(8)16-2/h3-5,7,13H,6H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid?
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid has a molecular weight of 243.69 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 51690857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).