2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid

C10H10ClF2NO3 — CID 117418267

IUPAC2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(CC(N)C(=O)O)cc(F)c(Cl)c1F
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-4(3-6(14)10(15)16)2-5(12)7(11)8(9)13/h2,6H,3,14H2,1H3,(H,15,16)
InChIKeyASVJBFFOGRPWLB-UHFFFAOYSA-N
MW265.64 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid

2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid (PubChem CID 117418267) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
PubChem CID117418267
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(CC(N)C(=O)O)cc(F)c(Cl)c1F
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-4(3-6(14)10(15)16)2-5(12)7(11)8(9)13/h2,6H,3,14H2,1H3,(H,15,16)
InChIKeyASVJBFFOGRPWLB-UHFFFAOYSA-N
XLogP1.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)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

3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(5-bromo-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117494624
2-amino-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)propanoic acid
CID 117437019
2-amino-3-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117456121
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
CID 84792629
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
2-amino-3-(5-chloro-2-hydroxy-4-methoxy-3-methylphenyl)propanoic acid
CID 117403271

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid (CID 117418267) is 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid is COc1c(CC(N)C(=O)O)cc(F)c(Cl)c1F.
What is the InChIKey of 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is ASVJBFFOGRPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-17-9-4(3-6(14)10(15)16)2-5(12)7(11)8(9)13/h2,6H,3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid?
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 265.64 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117418267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).