4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid

C12H23NO3 — CID 64852310

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
SMILESCCOC1CC(NCCCC(=O)O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-4-16-10-8-9(12(10,2)3)13-7-5-6-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBVBZYQVVTNNKIR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.64
Rot. Bonds7

About 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid (PubChem CID 64852310) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
PubChem CID64852310
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
SMILESCCOC1CC(NCCCC(=O)O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-4-16-10-8-9(12(10,2)3)13-7-5-6-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBVBZYQVVTNNKIR-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.64
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

6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
CID 114118834
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]amino]butanoic acid
CID 122022318
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 114119196

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid (CID 64852310) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid is CCOC1CC(NCCCC(=O)O)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid?
The InChIKey is BVBZYQVVTNNKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-10-8-9(12(10,2)3)13-7-5-6-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid is sourced from PubChem (CID 64852310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).