2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid

C15H18N2O4 — CID 119224969

IUPAC2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)16-13(18)11-5-3-4-6-12(11)17(2)14(19)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyLAOQEHUHIHMRRW-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid

2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid (PubChem CID 119224969) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
PubChem CID119224969
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)16-13(18)11-5-3-4-6-12(11)17(2)14(19)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyLAOQEHUHIHMRRW-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 51959369
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
N-[2-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-N-methylcyclopropanecarboxamide
CID 78886695
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55966441
2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
CID 119351711
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid (CID 119224969) is 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid is CC(NC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid?
The InChIKey is LAOQEHUHIHMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(15(20)21)16-13(18)11-5-3-4-6-12(11)17(2)14(19)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid?
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119224969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).