2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid

C7H12N2O2 — CID 77430826

IUPAC2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
SMILESO=C(O)NC1CC2CC1CN2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-2-5-1-4(6)3-8-5/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyZPXFHNRHLHESTN-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.00
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid

2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid (PubChem CID 77430826) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
PubChem CID77430826
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
SMILESO=C(O)NC1CC2CC1CN2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-2-5-1-4(6)3-8-5/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyZPXFHNRHLHESTN-UHFFFAOYSA-N
XLogP0.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide
CID 21083440
(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
methyl (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carboxylate
CID 121227040
2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
CID 170912214
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide
CID 22350598
N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 22591334
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide
CID 21083457
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid (CID 77430826) is 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid is O=C(O)NC1CC2CC1CN2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid?
The InChIKey is ZPXFHNRHLHESTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)9-6-2-5-1-4(6)3-8-5/h4-6,8-9H,1-3H2,(H,10,11).
What are the key properties of 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid?
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid has a molecular weight of 156.18 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid is sourced from PubChem (CID 77430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).