4-(cycloheptylamino)-4-oxobutanoic acid

C11H19NO3 — CID 2932888

IUPAC4-(cycloheptylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C11H19NO3/c13-10(7-8-11(14)15)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyXSJLCCURWNGWTP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds4

About 4-(cycloheptylamino)-4-oxobutanoic acid

4-(cycloheptylamino)-4-oxobutanoic acid (PubChem CID 2932888) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(cycloheptylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(cycloheptylamino)-4-oxobutanoic acid
PubChem CID2932888
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(cycloheptylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C11H19NO3/c13-10(7-8-11(14)15)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyXSJLCCURWNGWTP-UHFFFAOYSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(cycloheptylamino)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclooctylbutanamide
CID 4614062
3-chloro-N-cycloheptylpropanamide
CID 5152151
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
3-[2-(cycloheptylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 62575643
3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 55025301
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cyclohexyl-5-hydroxypentanamide
CID 11367641

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(cycloheptylamino)-4-oxobutanoic acid (CID 2932888) is 4-(cycloheptylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(cycloheptylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(cycloheptylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylamino)-4-oxobutanoic acid?
The InChIKey is XSJLCCURWNGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(7-8-11(14)15)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of 4-(cycloheptylamino)-4-oxobutanoic acid?
4-(cycloheptylamino)-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-4-oxobutanoic acid is sourced from PubChem (CID 2932888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).