2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid

C11H13NO3 — CID 69354051

IUPAC2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
SMILESCC(=O)C(N)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-7(13)11(12)9-4-2-8(3-5-9)6-10(14)15/h2-5,11H,6,12H2,1H3,(H,14,15)
InChIKeyDQWXWIGCUCJQOG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.90
Rot. Bonds4

About 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid

2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid (PubChem CID 69354051) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
PubChem CID69354051
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
SMILESCC(=O)C(N)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-7(13)11(12)9-4-2-8(3-5-9)6-10(14)15/h2-5,11H,6,12H2,1H3,(H,14,15)
InChIKeyDQWXWIGCUCJQOG-UHFFFAOYSA-N
XLogP0.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-amino-2-oxopropyl)phenyl]acetic 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

2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 73014170
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-[4-(1-aminoprop-2-enyl)phenyl]acetic acid
CID 55273244
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
2-[4-(3-acetylsulfanyl-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170822237
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid (CID 69354051) is 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid is CC(=O)C(N)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid?
The InChIKey is DQWXWIGCUCJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)11(12)9-4-2-8(3-5-9)6-10(14)15/h2-5,11H,6,12H2,1H3,(H,14,15).
What are the key properties of 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid?
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 69354051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).