3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H23N3O2 — CID 103809511

IUPAC3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1C2CCC(C2)C1N)C(N)=O
InChIInChI=1S/C13H23N3O2/c1-13(2,12(15)18)6-16-11(17)9-7-3-4-8(5-7)10(9)14/h7-10H,3-6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLOZOFZILXYZZFU-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.01
Rot. Bonds4

About 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103809511) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103809511
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1C2CCC(C2)C1N)C(N)=O
InChIInChI=1S/C13H23N3O2/c1-13(2,12(15)18)6-16-11(17)9-7-3-4-8(5-7)10(9)14/h7-10H,3-6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLOZOFZILXYZZFU-UHFFFAOYSA-N
XLogP-0.01
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119820248
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097042
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
CID 106280298
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
CID 79194327
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
CID 103809539
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103809511) is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(CNC(=O)C1C2CCC(C2)C1N)C(N)=O.
What is the InChIKey of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LOZOFZILXYZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,12(15)18)6-16-11(17)9-7-3-4-8(5-7)10(9)14/h7-10H,3-6,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103809511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).