2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid

C13H17FN2O3 — CID 60828601

IUPAC2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-3-9(2)16(8-12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVOLRDIVQTDWAMM-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.54
Rot. Bonds5

About 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid (PubChem CID 60828601) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
PubChem CID60828601
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-3-9(2)16(8-12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVOLRDIVQTDWAMM-UHFFFAOYSA-N
XLogP2.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic 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-[butan-2-yl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]acetic acid
CID 107530003
2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 107576309
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61196347
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 61188375
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79049906
2-[butan-2-yl-[(2,4,5-trichlorophenyl)carbamoyl]amino]acetic acid
CID 61181583

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid (CID 60828601) is 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is VOLRDIVQTDWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-9(2)16(8-12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 60828601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).