[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

C13H16N2O3 — CID 69184763

IUPAC[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCOc1ccccc1N1CC2C(C1)C2NC(=O)O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-6-8-9(7-15)12(8)14-13(16)17/h2-5,8-9,12,14H,6-7H2,1H3,(H,16,17)
InChIKeyPZOBLGPRPACWGX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.40
Rot. Bonds3

About [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (PubChem CID 69184763) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
PubChem CID69184763
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCOc1ccccc1N1CC2C(C1)C2NC(=O)O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-6-8-9(7-15)12(8)14-13(16)17/h2-5,8-9,12,14H,6-7H2,1H3,(H,16,17)
InChIKeyPZOBLGPRPACWGX-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 115004150
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733
1-isoquinolin-5-yl-3-[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 25097484
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The IUPAC name of [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (CID 69184763) is [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.
What is the SMILES notation for [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The canonical SMILES for [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is COc1ccccc1N1CC2C(C1)C2NC(=O)O.
What is the InChIKey of [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The InChIKey is PZOBLGPRPACWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-6-8-9(7-15)12(8)14-13(16)17/h2-5,8-9,12,14H,6-7H2,1H3,(H,16,17).
What are the key properties of [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid has a molecular weight of 248.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is sourced from PubChem (CID 69184763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).