(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide

C14H26N2O2 — CID 119335880

IUPAC(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)[C@H](C)N)C12CCCCC2
InChIInChI=1S/C14H26N2O2/c1-3-18-12-9-11(16-13(17)10(2)15)14(12)7-5-4-6-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,11?,12?/m0/s1
InChIKeyQHBYCNFARUDPBK-UNXYVOJBSA-N
MW254.37 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide

(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide (PubChem CID 119335880) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
PubChem CID119335880
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)[C@H](C)N)C12CCCCC2
InChIInChI=1S/C14H26N2O2/c1-3-18-12-9-11(16-13(17)10(2)15)14(12)7-5-4-6-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,11?,12?/m0/s1
InChIKeyQHBYCNFARUDPBK-UNXYVOJBSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
CID 119803509
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
CID 100577324
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95972185
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
CID 96570090
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide (CID 119335880) is (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide is CCOC1CC(NC(=O)[C@H](C)N)C12CCCCC2.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The InChIKey is QHBYCNFARUDPBK-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-12-9-11(16-13(17)10(2)15)14(12)7-5-4-6-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide is sourced from PubChem (CID 119335880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).