2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride

C12H21ClN2O2 — CID 119790821

IUPAC2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H20N2O2.ClH/c13-9-3-1-2-8(9)12(15)14-10-6-7-4-5-11(10)16-7;/h7-11H,1-6,13H2,(H,14,15);1H
InChIKeyVHATVRZLXIJJDK-UHFFFAOYSA-N
MW260.76 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride

2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119790821) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119790821
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H20N2O2.ClH/c13-9-3-1-2-8(9)12(15)14-10-6-7-4-5-11(10)16-7;/h7-11H,1-6,13H2,(H,14,15);1H
InChIKeyVHATVRZLXIJJDK-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990013
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80732812
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
N-(2-adamantyl)-2-aminocyclopentane-1-carboxamide
CID 64824917
3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 80720615

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119790821) is 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VHATVRZLXIJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c13-9-3-1-2-8(9)12(15)14-10-6-7-4-5-11(10)16-7;/h7-11H,1-6,13H2,(H,14,15);1H.
What are the key properties of 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119790821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).