(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid

C14H19N3O4 — CID 107566022

IUPAC(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-5-12(13(19)20)17-14(21)16-11-7-4-6-10(8-11)15-9(2)18/h4,6-8,12H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)/t12-/m0/s1
InChIKeyKLZWTQDWMAUUMI-LBPRGKRZSA-N
MW293.32 g/mol
LogP2.02
Rot. Bonds6

About (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid

(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid (PubChem CID 107566022) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
PubChem CID107566022
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-5-12(13(19)20)17-14(21)16-11-7-4-6-10(8-11)15-9(2)18/h4,6-8,12H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)/t12-/m0/s1
InChIKeyKLZWTQDWMAUUMI-LBPRGKRZSA-N
XLogP2.02
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic 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

(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
(2S)-2-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 107565890
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984
2-[(3-cyanophenyl)carbamoylamino]hexanoic acid
CID 43469991
2-[(3-ethynylphenyl)carbamoylamino]hexanoic acid
CID 61188195
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid (CID 107566022) is (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid?
The InChIKey is KLZWTQDWMAUUMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-5-12(13(19)20)17-14(21)16-11-7-4-6-10(8-11)15-9(2)18/h4,6-8,12H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid?
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).