(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid

C10H10F2N2O3 — CID 54991149

IUPAC(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1c(F)cccc1F)C(=O)O
InChIInChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)/t5-/m1/s1
InChIKeyOVTWOWZSKGKGDG-RXMQYKEDSA-N
MW244.20 g/mol
LogP1.56
Rot. Bonds3

About (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid

(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid (PubChem CID 54991149) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
PubChem CID54991149
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1c(F)cccc1F)C(=O)O
InChIInChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)/t5-/m1/s1
InChIKeyOVTWOWZSKGKGDG-RXMQYKEDSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic 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-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
CID 107601919
(2S)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]propanoic acid
CID 82819574
2-[(2,6-difluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61195936
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
3-[(2,6-difluorophenyl)carbamoylamino]butanoic acid
CID 61194064
3-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-methylbutanoic acid
CID 107601941
2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
CID 61194249
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
(2R)-2-[(2,4,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 78917560
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid (CID 54991149) is (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid is C[C@@H](NC(=O)Nc1c(F)cccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid?
The InChIKey is OVTWOWZSKGKGDG-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid?
(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid has a molecular weight of 244.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 54991149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).