1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

C14H23N3O4 — CID 81157459

IUPAC1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNC1(C(=O)O)CCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c18-11(9-15-14(12(19)20)7-4-8-14)17-13(21)16-10-5-2-1-3-6-10/h10,15H,1-9H2,(H,19,20)(H2,16,17,18,21)
InChIKeySPMVUMIXZZWKPC-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.74
Rot. Bonds5

About 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81157459) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81157459
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNC1(C(=O)O)CCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c18-11(9-15-14(12(19)20)7-4-8-14)17-13(21)16-10-5-2-1-3-6-10/h10,15H,1-9H2,(H,19,20)(H2,16,17,18,21)
InChIKeySPMVUMIXZZWKPC-UHFFFAOYSA-N
XLogP0.74
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194615
(2S)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83192651
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
CID 9265087
4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (CID 81157459) is 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is O=C(CNC1(C(=O)O)CCC1)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is SPMVUMIXZZWKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-11(9-15-14(12(19)20)7-4-8-14)17-13(21)16-10-5-2-1-3-6-10/h10,15H,1-9H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).