methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate

C17H32N2O2 — CID 63159718

IUPACmethyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN1CCC2(CCCC2)CC1)NC(C)C
InChIInChI=1S/C17H32N2O2/c1-14(2)18-15(16(20)21-3)6-11-19-12-9-17(10-13-19)7-4-5-8-17/h14-15,18H,4-13H2,1-3H3
InChIKeyLLHNUGHRIBXSTM-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds6

About methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate

methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate (PubChem CID 63159718) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
PubChem CID63159718
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN1CCC2(CCCC2)CC1)NC(C)C
InChIInChI=1S/C17H32N2O2/c1-14(2)18-15(16(20)21-3)6-11-19-12-9-17(10-13-19)7-4-5-8-17/h14-15,18H,4-13H2,1-3H3
InChIKeyLLHNUGHRIBXSTM-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
CID 55160635
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
CID 63055400
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
CID 63055078
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247

Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate (CID 63159718) is methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate is COC(=O)C(CCN1CCC2(CCCC2)CC1)NC(C)C.
What is the InChIKey of methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate?
The InChIKey is LLHNUGHRIBXSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)18-15(16(20)21-3)6-11-19-12-9-17(10-13-19)7-4-5-8-17/h14-15,18H,4-13H2,1-3H3.
What are the key properties of methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate?
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63159718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).