2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid

C13H25NO3 — CID 106204685

IUPAC2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
SMILESCC(N)(CCCCOCCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(14,12(15)16)8-2-3-9-17-10-7-11-5-4-6-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeySCFCLJLMRRMWGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.17
Rot. Bonds9

About 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid

2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid (PubChem CID 106204685) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
PubChem CID106204685
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
SMILESCC(N)(CCCCOCCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(14,12(15)16)8-2-3-9-17-10-7-11-5-4-6-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeySCFCLJLMRRMWGW-UHFFFAOYSA-N
XLogP2.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic 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-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
CID 106204271
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
CID 102607610
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid?
The IUPAC name of 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid (CID 106204685) is 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid?
The canonical SMILES for 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid is CC(N)(CCCCOCCC1CCC1)C(=O)O.
What is the InChIKey of 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid?
The InChIKey is SCFCLJLMRRMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(14,12(15)16)8-2-3-9-17-10-7-11-5-4-6-11/h11H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid?
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid is sourced from PubChem (CID 106204685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).