3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid

C13H20N2O3 — CID 66031370

IUPAC3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC3CCC2N3)C1
InChIInChI=1S/C13H20N2O3/c16-12(10-6-9-3-4-11(10)14-9)15-8-2-1-7(5-8)13(17)18/h7-11,14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyWXIKIVZGIASRDN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.50
Rot. Bonds3

About 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid

3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66031370) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID66031370
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC3CCC2N3)C1
InChIInChI=1S/C13H20N2O3/c16-12(10-6-9-3-4-11(10)14-9)15-8-2-1-7(5-8)13(17)18/h7-11,14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyWXIKIVZGIASRDN-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)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

N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114123022
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030110
3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032305
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266766
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid (CID 66031370) is 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CC3CCC2N3)C1.
What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WXIKIVZGIASRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(10-6-9-3-4-11(10)14-9)15-8-2-1-7(5-8)13(17)18/h7-11,14H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid?
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).