6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid

C14H25NO4 — CID 114118834

IUPAC6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
SMILESCCOC1CC(NC(=O)CCCCC(=O)O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-4-19-11-9-10(14(11,2)3)15-12(16)7-5-6-8-13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWIPRYTCYEVWGKA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds8

About 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid

6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid (PubChem CID 114118834) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
PubChem CID114118834
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
SMILESCCOC1CC(NC(=O)CCCCC(=O)O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-4-19-11-9-10(14(11,2)3)15-12(16)7-5-6-8-13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWIPRYTCYEVWGKA-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide
CID 103876547
N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 129423695
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
2-(1-aminocyclobutyl)-N-(3-ethoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812092
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114119108

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid (CID 114118834) is 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid is CCOC1CC(NC(=O)CCCCC(=O)O)C1(C)C.
What is the InChIKey of 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid?
The InChIKey is WIPRYTCYEVWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-19-11-9-10(14(11,2)3)15-12(16)7-5-6-8-13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid?
6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 114118834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).