2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid

C11H14N2O3 — CID 65350383

IUPAC2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
SMILESC[C@@H](N)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7(12)11(16)13-9-4-2-3-8(5-9)6-10(14)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyKFHJUQRSJUCJAE-SSDOTTSWSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds4

About 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid

2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid (PubChem CID 65350383) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
PubChem CID65350383
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
SMILESC[C@@H](N)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7(12)11(16)13-9-4-2-3-8(5-9)6-10(14)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyKFHJUQRSJUCJAE-SSDOTTSWSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[(2R)-2-aminopropanoyl]amino]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-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid (CID 65350383) is 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid is C[C@@H](N)C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid?
The InChIKey is KFHJUQRSJUCJAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(12)11(16)13-9-4-2-3-8(5-9)6-10(14)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid?
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65350383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).