1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid

C12H20N2O2 — CID 79654790

IUPAC1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C12H20N2O2/c13-12(11(15)16)4-3-10(6-12)14-7-8-1-2-9(14)5-8/h8-10H,1-7,13H2,(H,15,16)
InChIKeyQKMLEDUWXVTXBU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.81
Rot. Bonds2

About 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid

1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 79654790) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID79654790
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C12H20N2O2/c13-12(11(15)16)4-3-10(6-12)14-7-8-1-2-9(14)5-8/h8-10H,1-7,13H2,(H,15,16)
InChIKeyQKMLEDUWXVTXBU-UHFFFAOYSA-N
XLogP0.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114539250
1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114596385
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646922
1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79636119
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 114996091
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
CID 63075043
(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 64555279

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid (CID 79654790) is 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(N2CC3CCC2C3)C1.
What is the InChIKey of 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QKMLEDUWXVTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-12(11(15)16)4-3-10(6-12)14-7-8-1-2-9(14)5-8/h8-10H,1-7,13H2,(H,15,16).
What are the key properties of 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).