3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid

C10H12ClNO3 — CID 6484258

IUPAC3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)CC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)
InChIKeyJTMCTXSKEUTZNI-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid

3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid (PubChem CID 6484258) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
PubChem CID6484258
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)CC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)
InChIKeyJTMCTXSKEUTZNI-UHFFFAOYSA-N
XLogP1.82
TPSA72.55 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581
4-amino-3-(3-chloro-4-methoxyphenyl)-4-methylpentanoic acid
CID 66090246
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
3-amino-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]propanoic acid
CID 53417405

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid (CID 6484258) is 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid is COc1ccc(C(N)CC(=O)O)cc1Cl.
What is the InChIKey of 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid?
The InChIKey is JTMCTXSKEUTZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid?
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 6484258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).