3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide

C16H28N2O2 — CID 119794729

IUPAC3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
SMILESCCOC1CC(NC(=O)C2CCC(N)C2)C12CCCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-10-13(16(14)7-3-4-8-16)18-15(19)11-5-6-12(17)9-11/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyVIPAADFHZTURTP-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide (PubChem CID 119794729) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
PubChem CID119794729
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
SMILESCCOC1CC(NC(=O)C2CCC(N)C2)C12CCCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-10-13(16(14)7-3-4-8-16)18-15(19)11-5-6-12(17)9-11/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyVIPAADFHZTURTP-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819902
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
CID 119335892
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533
4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide (CID 119794729) is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide is CCOC1CC(NC(=O)C2CCC(N)C2)C12CCCC2.
What is the InChIKey of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide?
The InChIKey is VIPAADFHZTURTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-14-10-13(16(14)7-3-4-8-16)18-15(19)11-5-6-12(17)9-11/h11-14H,2-10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide?
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119794729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).