3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide

C12H22N2O2 — CID 119334931

IUPAC3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCN)C12CCC2
InChIInChI=1S/C12H22N2O2/c1-2-16-10-8-9(12(10)5-3-6-12)14-11(15)4-7-13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyHPBUBYCAGWAZCF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds5

About 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide

3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide (PubChem CID 119334931) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
PubChem CID119334931
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCN)C12CCC2
InChIInChI=1S/C12H22N2O2/c1-2-16-10-8-9(12(10)5-3-6-12)14-11(15)4-7-13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyHPBUBYCAGWAZCF-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
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
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
CID 119803509
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
CID 99813900
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide?
The IUPAC name of 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide (CID 119334931) is 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide?
The canonical SMILES for 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide is CCOC1CC(NC(=O)CCN)C12CCC2.
What is the InChIKey of 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide?
The InChIKey is HPBUBYCAGWAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-10-8-9(12(10)5-3-6-12)14-11(15)4-7-13/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide?
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 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[3.3]heptan-1-yl)propanamide is sourced from PubChem (CID 119334931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).