(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid

C10H12ClNO3 — CID 7039116

IUPAC(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
SMILESCOc1ccc(N[C@H](C)C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(10(13)14)12-7-3-4-9(15-2)8(11)5-7/h3-6,12H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyRFZPOOKZHCPYAM-ZCFIWIBFSA-N
MW229.66 g/mol
LogP2.23
Rot. Bonds4

About (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid

(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid (PubChem CID 7039116) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
PubChem CID7039116
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
SMILESCOc1ccc(N[C@H](C)C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(10(13)14)12-7-3-4-9(15-2)8(11)5-7/h3-6,12H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyRFZPOOKZHCPYAM-ZCFIWIBFSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-methoxyanilino)-2-methylbutanoic acid
CID 79391077
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(4-methoxy-3-nitroanilino)propanoic acid
CID 113385258
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid?
The IUPAC name of (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid (CID 7039116) is (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid?
The canonical SMILES for (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid is COc1ccc(N[C@H](C)C(=O)O)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid?
The InChIKey is RFZPOOKZHCPYAM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(10(13)14)12-7-3-4-9(15-2)8(11)5-7/h3-6,12H,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid?
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid has a molecular weight of 229.66 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methoxyanilino)propanoic acid is sourced from PubChem (CID 7039116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).