2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid

C14H16F2N2O3 — CID 103586744

IUPAC2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1cc(F)c(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-7-5-10(16)11(6-9(7)15)17-13(21)18-14(2,12(19)20)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKIWCDNDWBCSQRS-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid (PubChem CID 103586744) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
PubChem CID103586744
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1cc(F)c(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-7-5-10(16)11(6-9(7)15)17-13(21)18-14(2,12(19)20)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKIWCDNDWBCSQRS-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)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

(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398
2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 43658790
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103584586
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
CID 64670271
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid (CID 103586744) is 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid is Cc1cc(F)c(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid?
The InChIKey is KIWCDNDWBCSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-7-5-10(16)11(6-9(7)15)17-13(21)18-14(2,12(19)20)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid has a molecular weight of 298.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103586744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).