2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid

C14H16N2O4 — CID 61341696

IUPAC2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESCC(=O)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(17)10-2-4-11(5-3-10)15-14(20)16(8-13(18)19)12-6-7-12/h2-5,12H,6-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyIEAQJPOJHCGMEJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.97
Rot. Bonds5

About 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid

2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid (PubChem CID 61341696) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
PubChem CID61341696
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESCC(=O)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(17)10-2-4-11(5-3-10)15-14(20)16(8-13(18)19)12-6-7-12/h2-5,12H,6-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyIEAQJPOJHCGMEJ-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 151198154
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919
3-(4-acetylphenyl)-1-(1-benzylpiperidin-4-yl)-1-butylurea
CID 141100652
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid (CID 61341696) is 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid is CC(=O)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid?
The InChIKey is IEAQJPOJHCGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(17)10-2-4-11(5-3-10)15-14(20)16(8-13(18)19)12-6-7-12/h2-5,12H,6-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid?
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 61341696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).