3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C10H18ClN3O2 — CID 119726704

IUPAC3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C10H17N3O2.ClH/c11-7(14)4-13-10(15)8-5-1-2-6(3-5)9(8)12;/h5-6,8-9H,1-4,12H2,(H2,11,14)(H,13,15);1H
InChIKeyVAOGOENQPSYFJZ-UHFFFAOYSA-N
MW247.73 g/mol
LogP-0.62
Rot. Bonds3

About 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119726704) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119726704
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C10H17N3O2.ClH/c11-7(14)4-13-10(15)8-5-1-2-6(3-5)9(8)12;/h5-6,8-9H,1-4,12H2,(H2,11,14)(H,13,15);1H
InChIKeyVAOGOENQPSYFJZ-UHFFFAOYSA-N
XLogP-0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
CID 79194327
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103809511
3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119756548
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119731702
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726919
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119726704) is 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC(=O)CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is VAOGOENQPSYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c11-7(14)4-13-10(15)8-5-1-2-6(3-5)9(8)12;/h5-6,8-9H,1-4,12H2,(H2,11,14)(H,13,15);1H.
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119726704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).