3-amino-2-(4-chloro-3-methylphenyl)propanoic acid

C10H12ClNO2 — CID 83835403

IUPAC3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-7(2-3-9(6)11)8(5-12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)
InChIKeyNYUBLCIWKVOMBC-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid

3-amino-2-(4-chloro-3-methylphenyl)propanoic acid (PubChem CID 83835403) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
PubChem CID83835403
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-7(2-3-9(6)11)8(5-12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)
InChIKeyNYUBLCIWKVOMBC-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
3-amino-2-(3-chloro-4-fluoro-5-methylphenyl)propanoic acid
CID 84695104
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
3-amino-2-(3-chloro-1-methylindol-5-yl)propanoic acid
CID 117384787
1-amino-1-(4-chloro-3-methylphenyl)propan-2-one
CID 55273275
3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid
CID 117298581
methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-amino-2-[3-chloro-4-(oxan-4-yl)phenyl]propanoic acid
CID 117456082
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid (CID 83835403) is 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid is Cc1cc(C(CN)C(=O)O)ccc1Cl.
What is the InChIKey of 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid?
The InChIKey is NYUBLCIWKVOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-4-7(2-3-9(6)11)8(5-12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid?
3-amino-2-(4-chloro-3-methylphenyl)propanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chloro-3-methylphenyl)propanoic acid is sourced from PubChem (CID 83835403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).