methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate

C17H31NO3 — CID 64864245

IUPACmethyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
SMILESCCOC1CC(NC(CC(C)C)C(=O)OC)C12CCCC2
InChIInChI=1S/C17H31NO3/c1-5-21-15-11-14(17(15)8-6-7-9-17)18-13(10-12(2)3)16(19)20-4/h12-15,18H,5-11H2,1-4H3
InChIKeySSABRZBCWYWSBG-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.90
Rot. Bonds7

About methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate

methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate (PubChem CID 64864245) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
PubChem CID64864245
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namemethyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
SMILESCCOC1CC(NC(CC(C)C)C(=O)OC)C12CCCC2
InChIInChI=1S/C17H31NO3/c1-5-21-15-11-14(17(15)8-6-7-9-17)18-13(10-12(2)3)16(19)20-4/h12-15,18H,5-11H2,1-4H3
InChIKeySSABRZBCWYWSBG-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate with MolForge

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexanoic acid
CID 122044815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate (CID 64864245) is methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate is CCOC1CC(NC(CC(C)C)C(=O)OC)C12CCCC2.
What is the InChIKey of methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate?
The InChIKey is SSABRZBCWYWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-5-21-15-11-14(17(15)8-6-7-9-17)18-13(10-12(2)3)16(19)20-4/h12-15,18H,5-11H2,1-4H3.
What are the key properties of methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate?
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate has a molecular weight of 297.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 64864245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).