3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid

C14H25NO3 — CID 115909826

IUPAC3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,10-13(17)18)15-12(16)9-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPEZOFNQINCIYEP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds5

About 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid

3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid (PubChem CID 115909826) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
PubChem CID115909826
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,10-13(17)18)15-12(16)9-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPEZOFNQINCIYEP-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic 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-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 103162007
2-cyclopentyl-N-(1,1-diphenylethyl)acetamide
CID 56522804
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid (CID 115909826) is 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)CC1CCCCCC1.
What is the InChIKey of 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid?
The InChIKey is PEZOFNQINCIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,10-13(17)18)15-12(16)9-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid?
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 115909826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).