3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid

C10H19NO3 — CID 106822538

IUPAC3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-4-14-8-5-10(6-8,9(12)13)11-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyWJIFIMBHRUOLQX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds5

About 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid

3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 106822538) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID106822538
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-4-14-8-5-10(6-8,9(12)13)11-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyWJIFIMBHRUOLQX-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 106822542
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
1-anilino-3-ethoxycyclobutane-1-carboxylic acid
CID 106822581
3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 82005503
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxylic acid
CID 106822798
3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
3-(3-methylcyclohexyl)oxy-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634611
3-[2-ethoxyethyl(ethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650786

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid (CID 106822538) is 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid is CCOC1CC(NC(C)C)(C(=O)O)C1.
What is the InChIKey of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is WJIFIMBHRUOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-8-5-10(6-8,9(12)13)11-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid?
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106822538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).