methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate

C15H28N2O2 — CID 63055400

IUPACmethyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-14(18)13(16)5-10-17-11-8-15(9-12-17)6-3-2-4-7-15/h13H,2-12,16H2,1H3
InChIKeyXBBOGGLFZCEDAZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds4

About methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate

methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate (PubChem CID 63055400) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
PubChem CID63055400
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-14(18)13(16)5-10-17-11-8-15(9-12-17)6-3-2-4-7-15/h13H,2-12,16H2,1H3
InChIKeyXBBOGGLFZCEDAZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
CID 55160635
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
methyl 2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103538234
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 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
CID 79414044
methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
CID 55157662
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate (CID 63055400) is methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate is COC(=O)C(N)CCN1CCC2(CCCCC2)CC1.
What is the InChIKey of methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate?
The InChIKey is XBBOGGLFZCEDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-14(18)13(16)5-10-17-11-8-15(9-12-17)6-3-2-4-7-15/h13H,2-12,16H2,1H3.
What are the key properties of methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate?
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate is sourced from PubChem (CID 63055400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).