2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid

C13H15FN2O3 — CID 54978295

IUPAC2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)ccc1NC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-8-6-9(14)2-5-11(8)15-13(19)16(7-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyXSEFQEKVJHZIDO-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.22
Rot. Bonds4

About 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 54978295) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID54978295
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)ccc1NC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-8-6-9(14)2-5-11(8)15-13(19)16(7-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyXSEFQEKVJHZIDO-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
1-(2,2-dimethyloxan-4-yl)-1-ethyl-3-(4-fluoro-2-methylphenyl)urea
CID 74234341
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid (CID 54978295) is 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid is Cc1cc(F)ccc1NC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is XSEFQEKVJHZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-6-9(14)2-5-11(8)15-13(19)16(7-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 266.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54978295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).