(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid

C11H13FN2O4 — CID 62813429

IUPAC(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCc1cc(NC(=O)N[C@@H](CO)C(=O)O)ccc1F
InChIInChI=1S/C11H13FN2O4/c1-6-4-7(2-3-8(6)12)13-11(18)14-9(5-15)10(16)17/h2-4,9,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1
InChIKeyZZENZMCXGMSGNA-VIFPVBQESA-N
MW256.23 g/mol
LogP0.70
Rot. Bonds4

About (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid

(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 62813429) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID62813429
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCc1cc(NC(=O)N[C@@H](CO)C(=O)O)ccc1F
InChIInChI=1S/C11H13FN2O4/c1-6-4-7(2-3-8(6)12)13-11(18)14-9(5-15)10(16)17/h2-4,9,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1
InChIKeyZZENZMCXGMSGNA-VIFPVBQESA-N
XLogP0.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic 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

3-hydroxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 61184675
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039
(2R)-2-[[2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-oxoacetyl]amino]-3-hydroxypropanoic acid
CID 146450034
(2S)-2-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61182472
(2S)-2-[(3-bromo-4-fluorophenyl)carbamoylamino]butanoic acid
CID 113364174
2-(4-fluoro-3-methylanilino)butanoic acid
CID 64670151
2-[(4-bromo-3-methylphenyl)carbamoylamino]butanoic acid
CID 61182819
(2S)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107593230
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
2-[(3,4-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61189965
2-[(3-bromo-4-fluorophenyl)carbamoylamino]butanedioic acid
CID 104780173
2-[(3,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61185609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 62813429) is (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid is Cc1cc(NC(=O)N[C@@H](CO)C(=O)O)ccc1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is ZZENZMCXGMSGNA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-6-4-7(2-3-8(6)12)13-11(18)14-9(5-15)10(16)17/h2-4,9,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 256.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 62813429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).