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

C7H12N2O2 — CID 126506712

IUPAC2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
SMILESO=C(O)NC1C2CCC1NC2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-4-1-2-5(6)8-3-4/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyYSDLLUCTXBXDNG-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.00
Rot. Bonds1

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

2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid (PubChem CID 126506712) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
PubChem CID126506712
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
SMILESO=C(O)NC1C2CCC1NC2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-4-1-2-5(6)8-3-4/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyYSDLLUCTXBXDNG-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

(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 74892078
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid
CID 156534278
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
CID 55253029
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide
CID 131059615
ethyl (1R,4S,7S)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 11423819
[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid
CID 90279823
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
(1R,4S,7S)-7-bromo-2-azabicyclo[2.2.1]heptane
CID 98071510
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid (CID 126506712) is 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid is O=C(O)NC1C2CCC1NC2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid?
The InChIKey is YSDLLUCTXBXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)9-6-4-1-2-5(6)8-3-4/h4-6,8-9H,1-3H2,(H,10,11).
What are the key properties of 2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid?
2-azabicyclo[2.2.1]heptan-7-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-7-ylcarbamic acid is sourced from PubChem (CID 126506712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).