4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid

C14H24N2O4 — CID 65300229

IUPAC4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,12(18)19)9-11(17)16-13(20)15-10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyPWSAOJKTWISDLY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds4

About 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300229) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300229
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,12(18)19)9-11(17)16-13(20)15-10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyPWSAOJKTWISDLY-UHFFFAOYSA-N
XLogP2.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
CID 9265087
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
(2R)-2-amino-3-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442698
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65300229) is 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NC(=O)NC1CCCCCC1)C(=O)O.
What is the InChIKey of 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is PWSAOJKTWISDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,12(18)19)9-11(17)16-13(20)15-10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).