2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid

C10H12ClNO2 — CID 560265

IUPAC2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyIVPYXMQYUYFSFC-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid

2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid (PubChem CID 560265) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
PubChem CID560265
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyIVPYXMQYUYFSFC-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid (CID 560265) is 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid is CC(N)(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is IVPYXMQYUYFSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid?
2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 560265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).