3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid

C16H29NO3 — CID 82324129

IUPAC3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)CC(=O)N(CC(C)C(=O)O)C1CCCCCC1
InChIInChI=1S/C16H29NO3/c1-12(2)10-15(18)17(11-13(3)16(19)20)14-8-6-4-5-7-9-14/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyLUVFHAVXSJXBKF-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.30
Rot. Bonds6

About 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid

3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 82324129) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID82324129
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)CC(=O)N(CC(C)C(=O)O)C1CCCCCC1
InChIInChI=1S/C16H29NO3/c1-12(2)10-15(18)17(11-13(3)16(19)20)14-8-6-4-5-7-9-14/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyLUVFHAVXSJXBKF-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic 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-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
CID 82103905
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
3-[cyclopropyl(4-propan-2-yloxybutanoyl)amino]-2-methylpropanoic acid
CID 120689469
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
CID 154848803

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid (CID 82324129) is 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid is CC(C)CC(=O)N(CC(C)C(=O)O)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is LUVFHAVXSJXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)10-15(18)17(11-13(3)16(19)20)14-8-6-4-5-7-9-14/h12-14H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid?
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82324129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).