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

C15H18N2O4 — CID 115449986

IUPAC1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(=O)NCC1(C(=O)O)CC1)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-17(13(19)11-5-3-2-4-6-11)9-12(18)16-10-15(7-8-15)14(20)21/h2-6H,7-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyXKYNUXWDZMGYPT-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.74
Rot. Bonds6

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

1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449986) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449986
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(=O)NCC1(C(=O)O)CC1)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-17(13(19)11-5-3-2-4-6-11)9-12(18)16-10-15(7-8-15)14(20)21/h2-6H,7-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyXKYNUXWDZMGYPT-UHFFFAOYSA-N
XLogP0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 78956835
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 62518984
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449986) is 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid is CN(CC(=O)NCC1(C(=O)O)CC1)C(=O)c1ccccc1.
What is the InChIKey of 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XKYNUXWDZMGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(13(19)11-5-3-2-4-6-11)9-12(18)16-10-15(7-8-15)14(20)21/h2-6H,7-10H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).