2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid

C10H10F2N2O3 — CID 43288482

IUPAC2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGEXNHSMJENJMEQ-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.56
Rot. Bonds3

About 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid

2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid (PubChem CID 43288482) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
PubChem CID43288482
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGEXNHSMJENJMEQ-UHFFFAOYSA-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

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Related Compounds

(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
(2R)-2-[(2,4,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 78917560
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307348

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid (CID 43288482) is 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid?
The InChIKey is GEXNHSMJENJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c1-5(9(15)16)13-10(17)14-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid?
2-[(2,4-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 2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 43288482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).