2-(1-aminocycloundecyl)-3-methylbutanoic acid

C16H31NO2 — CID 134467183

IUPAC2-(1-aminocycloundecyl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)C1(N)CCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)14(15(18)19)16(17)11-9-7-5-3-4-6-8-10-12-16/h13-14H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyHNGFOPCDWQXBAB-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.96
Rot. Bonds3

About 2-(1-aminocycloundecyl)-3-methylbutanoic acid

2-(1-aminocycloundecyl)-3-methylbutanoic acid (PubChem CID 134467183) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(1-aminocycloundecyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(1-aminocycloundecyl)-3-methylbutanoic acid
PubChem CID134467183
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(1-aminocycloundecyl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)C1(N)CCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)14(15(18)19)16(17)11-9-7-5-3-4-6-8-10-12-16/h13-14H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyHNGFOPCDWQXBAB-UHFFFAOYSA-N
XLogP3.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocycloundecyl)-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-(1-aminocyclooctyl)propanamide
CID 138738816
1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
2-(1-hydroxy-2-methylcyclohexyl)-3-methylbutanoic acid
CID 62397827
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
CID 103244876
3-methyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]butanoic acid
CID 158555018
2-(1-hydroxy-2-phenylcyclohexyl)-3-methylbutanoic acid
CID 105403267
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocycloundecyl)-3-methylbutanoic acid?
The IUPAC name of 2-(1-aminocycloundecyl)-3-methylbutanoic acid (CID 134467183) is 2-(1-aminocycloundecyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(1-aminocycloundecyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(1-aminocycloundecyl)-3-methylbutanoic acid is CC(C)C(C(=O)O)C1(N)CCCCCCCCCC1.
What is the InChIKey of 2-(1-aminocycloundecyl)-3-methylbutanoic acid?
The InChIKey is HNGFOPCDWQXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)14(15(18)19)16(17)11-9-7-5-3-4-6-8-10-12-16/h13-14H,3-12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-aminocycloundecyl)-3-methylbutanoic acid?
2-(1-aminocycloundecyl)-3-methylbutanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocycloundecyl)-3-methylbutanoic acid is sourced from PubChem (CID 134467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).