1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

C15H18N2O4 — CID 115449575

IUPAC1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)N(C)c1ccccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C15H18N2O4/c1-10(18)17(2)12-6-4-3-5-11(12)13(19)16-9-15(7-8-15)14(20)21/h3-6H,7-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyFYZHKNXVRXWSKD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds5

About 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449575) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449575
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)N(C)c1ccccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C15H18N2O4/c1-10(18)17(2)12-6-4-3-5-11(12)13(19)16-9-15(7-8-15)14(20)21/h3-6H,7-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyFYZHKNXVRXWSKD-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

4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
1-[[(2-chlorobenzoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440820
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449986
1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311867
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449575) is 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is CC(=O)N(C)c1ccccc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FYZHKNXVRXWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)17(2)12-6-4-3-5-11(12)13(19)16-9-15(7-8-15)14(20)21/h3-6H,7-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic 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 1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).