1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 115446343

IUPAC1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C(=O)NCC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-7-4-3-5-8-12)14(20)16-11-15(13(18)19)9-6-10-15/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKZVFEYUSQLPLMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.48
Rot. Bonds5

About 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446343) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446343
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C(=O)NCC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-7-4-3-5-8-12)14(20)16-11-15(13(18)19)9-6-10-15/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKZVFEYUSQLPLMP-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764290
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115446343) is 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CCN(C(=O)NCC1(C(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KZVFEYUSQLPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17(12-7-4-3-5-8-12)14(20)16-11-15(13(18)19)9-6-10-15/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).