3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119692045

IUPAC3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CNC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-7(2)16-10(17)6-15-13(18)11-8-3-4-9(5-8)12(11)14;/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyTUDSBYFSBIQHGN-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119692045) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119692045
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CNC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-7(2)16-10(17)6-15-13(18)11-8-3-4-9(5-8)12(11)14;/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyTUDSBYFSBIQHGN-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
2-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 114995560
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119820025
3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119820248
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119731702
methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
CID 119781274
4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
CID 62782527
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119692045) is 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(C)NC(=O)CNC(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is TUDSBYFSBIQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-7(2)16-10(17)6-15-13(18)11-8-3-4-9(5-8)12(11)14;/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119692045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).