3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H22N2O4 — CID 66032841

IUPAC3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C14H22N2O4/c17-12-6-10-3-4-11(7-12)16(10)14(20)15-9-2-1-8(5-9)13(18)19/h8-12,17H,1-7H2,(H,15,20)(H,18,19)
InChIKeyJMGQJHGVSSNPJK-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.94
Rot. Bonds2

About 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032841) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032841
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C14H22N2O4/c17-12-6-10-3-4-11(7-12)16(10)14(20)15-9-2-1-8(5-9)13(18)19/h8-12,17H,1-7H2,(H,15,20)(H,18,19)
InChIKeyJMGQJHGVSSNPJK-UHFFFAOYSA-N
XLogP0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876252
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 127308548
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 58656314
(1S,5R)-N-[(3S)-1-(4-aminophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68873576
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66032841) is 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2C3CCC2CC(O)C3)C1.
What is the InChIKey of 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JMGQJHGVSSNPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-6-10-3-4-11(7-12)16(10)14(20)15-9-2-1-8(5-9)13(18)19/h8-12,17H,1-7H2,(H,15,20)(H,18,19).
What are the key properties of 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).