(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid

C14H18N2O2 — CID 126511178

IUPAC(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
SMILESO=C(O)NC12CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c17-13(18)15-14-7-6-12(14)9-16(10-14)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
InChIKeyLLXNOMUTYFVLOJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds3

About (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid

(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid (PubChem CID 126511178) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid.

Molecular Properties

Compound Name(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
PubChem CID126511178
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
SMILESO=C(O)NC12CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c17-13(18)15-14-7-6-12(14)9-16(10-14)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
InChIKeyLLXNOMUTYFVLOJ-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3aR,7aR)-2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]carbamate
CID 90406229
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 167716634
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid?
The IUPAC name of (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid (CID 126511178) is (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid.
What is the SMILES notation for (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid?
The canonical SMILES for (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid is O=C(O)NC12CCC1CN(Cc1ccccc1)C2.
What is the InChIKey of (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid?
The InChIKey is LLXNOMUTYFVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(18)15-14-7-6-12(14)9-16(10-14)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18).
What are the key properties of (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid?
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid has a molecular weight of 246.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid is sourced from PubChem (CID 126511178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).