2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid

C13H14F2N2O3 — CID 103586733

IUPAC2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)c(NC(=O)N(CC(=O)O)C2CC2)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-7-4-10(15)11(5-9(7)14)16-13(20)17(6-12(18)19)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyGEQAZULRUBNWLN-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.35
Rot. Bonds4

About 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 103586733) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID103586733
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)c(NC(=O)N(CC(=O)O)C2CC2)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-7-4-10(15)11(5-9(7)14)16-13(20)17(6-12(18)19)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyGEQAZULRUBNWLN-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
CID 113396470
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid (CID 103586733) is 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid is Cc1cc(F)c(NC(=O)N(CC(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is GEQAZULRUBNWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-7-4-10(15)11(5-9(7)14)16-13(20)17(6-12(18)19)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 284.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 103586733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).