methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate

C16H28N2O2 — CID 63160319

IUPACmethyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
SMILESCOC(=O)C(CN1CCC2(CCCC2)CC1)NC1CC1
InChIInChI=1S/C16H28N2O2/c1-20-15(19)14(17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13-14,17H,2-12H2,1H3
InChIKeyCMCOACLEJNCCES-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds5

About methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate

methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate (PubChem CID 63160319) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
PubChem CID63160319
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namemethyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
SMILESCOC(=O)C(CN1CCC2(CCCC2)CC1)NC1CC1
InChIInChI=1S/C16H28N2O2/c1-20-15(19)14(17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13-14,17H,2-12H2,1H3
InChIKeyCMCOACLEJNCCES-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate with MolForge

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Related Compounds

methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
3-(3-azaspiro[5.5]undecan-3-yl)-2-(cyclopropylamino)propanamide
CID 62931119
methyl 2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoate
CID 114083688
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
CID 114279502
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
CID 55160635
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
CID 63055400
1-(3-azaspiro[5.5]undecan-3-yl)-3-(cyclopropylamino)propan-2-ol
CID 62937041

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate?
The IUPAC name of methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate (CID 63160319) is methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate.
What is the SMILES notation for methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate?
The canonical SMILES for methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate is COC(=O)C(CN1CCC2(CCCC2)CC1)NC1CC1.
What is the InChIKey of methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate?
The InChIKey is CMCOACLEJNCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-15(19)14(17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13-14,17H,2-12H2,1H3.
What are the key properties of methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate?
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate has a molecular weight of 280.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63160319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).