3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride

C13H25ClN2O2 — CID 119329855

IUPAC3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
SMILESCCOC1CC(NC(=O)CCN)C12CCCC2.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-11-9-10(15-12(16)5-8-14)13(11)6-3-4-7-13;/h10-11H,2-9,14H2,1H3,(H,15,16);1H
InChIKeyARFSDSULIOLXPZ-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride (PubChem CID 119329855) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
PubChem CID119329855
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
SMILESCCOC1CC(NC(=O)CCN)C12CCCC2.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-11-9-10(15-12(16)5-8-14)13(11)6-3-4-7-13;/h10-11H,2-9,14H2,1H3,(H,15,16);1H
InChIKeyARFSDSULIOLXPZ-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 120611376
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
CID 99813900
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride (CID 119329855) is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride is CCOC1CC(NC(=O)CCN)C12CCCC2.Cl.
What is the InChIKey of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride?
The InChIKey is ARFSDSULIOLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-2-17-11-9-10(15-12(16)5-8-14)13(11)6-3-4-7-13;/h10-11H,2-9,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride?
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.61, 5 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)propanamide;hydrochloride is sourced from PubChem (CID 119329855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).