1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 79650981

IUPAC1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C16H28N2O2/c17-16(14(19)20)7-4-13(12-16)18-10-8-15(9-11-18)5-2-1-3-6-15/h13H,1-12,17H2,(H,19,20)
InChIKeyIYSWEWYSTYLUCY-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.37
Rot. Bonds2

About 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid

1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 79650981) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
PubChem CID79650981
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C16H28N2O2/c17-16(14(19)20)7-4-13(12-16)18-10-8-15(9-11-18)5-2-1-3-6-15/h13H,1-12,17H2,(H,19,20)
InChIKeyIYSWEWYSTYLUCY-UHFFFAOYSA-N
XLogP2.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
1-amino-3-(2-azaspiro[4.5]decan-2-yl)cyclopentane-1-carboxamide
CID 114279513
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-amino-3-(4-piperidin-1-ylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79646142
1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114539250
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid (CID 79650981) is 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(N2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IYSWEWYSTYLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-16(14(19)20)7-4-13(12-16)18-10-8-15(9-11-18)5-2-1-3-6-15/h13H,1-12,17H2,(H,19,20).
What are the key properties of 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).