2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid

C14H25NO3 — CID 112516456

IUPAC2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
SMILESCCCC(CC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-7-11(14(17)18)10-13(16)15-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyWPPMIURXNCCUGL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds6

About 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid

2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid (PubChem CID 112516456) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
PubChem CID112516456
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
SMILESCCCC(CC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-7-11(14(17)18)10-13(16)15-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyWPPMIURXNCCUGL-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic 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

2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 3125314
(2S)-2-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 7008015
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
N-cyclooctylbutanamide
CID 4614062
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid?
The IUPAC name of 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid (CID 112516456) is 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid.
What is the SMILES notation for 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid?
The canonical SMILES for 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid is CCCC(CC(=O)NC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid?
The InChIKey is WPPMIURXNCCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-7-11(14(17)18)10-13(16)15-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid?
2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid is sourced from PubChem (CID 112516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).