2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid

C11H14ClNO2 — CID 84791820

IUPAC2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CC(N)C(=O)O)c(C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-6-3-4-8(7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyOWAYZKCGKIZXOV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid

2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid (PubChem CID 84791820) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
PubChem CID84791820
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CC(N)C(=O)O)c(C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-6-3-4-8(7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyOWAYZKCGKIZXOV-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
2-amino-3-(3,4-dimethyl-2-propan-2-yloxyphenyl)propanoic acid
CID 117381637
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
2-amino-3-(2-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117396432

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid (CID 84791820) is 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid is Cc1ccc(CC(N)C(=O)O)c(C)c1Cl.
What is the InChIKey of 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid?
The InChIKey is OWAYZKCGKIZXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-6-3-4-8(7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid?
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84791820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).