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

C7H12N2O2 — CID 146382277

IUPAC7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC1N2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-3-4-1-2-5(6)8-4/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyAYFBTCTZJXUMEO-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.15
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid

7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid (PubChem CID 146382277) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
PubChem CID146382277
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC1N2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-3-4-1-2-5(6)8-4/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyAYFBTCTZJXUMEO-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea
CID 165465786
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
CID 90708250
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide
CID 70028060
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 22566087

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid (CID 146382277) is 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid is O=C(O)NC1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The InChIKey is AYFBTCTZJXUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)9-6-3-4-1-2-5(6)8-4/h4-6,8-9H,1-3H2,(H,10,11).
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid?
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid has a molecular weight of 156.18 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid is sourced from PubChem (CID 146382277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).