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

C14H26N2O2 — CID 55160635

IUPACmethyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13(17)12(15)4-9-16-10-7-14(8-11-16)5-2-3-6-14/h12H,2-11,15H2,1H3
InChIKeySVEUWOKVVLWECK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds4

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

methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate (PubChem CID 55160635) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
PubChem CID55160635
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13(17)12(15)4-9-16-10-7-14(8-11-16)5-2-3-6-14/h12H,2-11,15H2,1H3
InChIKeySVEUWOKVVLWECK-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate (CID 55160635) is methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate is COC(=O)C(N)CCN1CCC2(CCCC2)CC1.
What is the InChIKey of methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate?
The InChIKey is SVEUWOKVVLWECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-13(17)12(15)4-9-16-10-7-14(8-11-16)5-2-3-6-14/h12H,2-11,15H2,1H3.
What are the key properties of methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate?
methyl 2-amino-4-(8-azaspiro[4.5]decan-8-yl)butanoate has a molecular weight of 254.37 g/mol, XLogP of 1.53, 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-(8-azaspiro[4.5]decan-8-yl)butanoate is sourced from PubChem (CID 55160635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).