2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid

C9H16N2O2 — CID 154998463

IUPAC2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)C1C2CNCC21
InChIInChI=1S/C9H16N2O2/c1-9(2,11-8(12)13)7-5-3-10-4-6(5)7/h5-7,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyVMUBMLAWNMMIPM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid

2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid (PubChem CID 154998463) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid
PubChem CID154998463
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)C1C2CNCC21
InChIInChI=1S/C9H16N2O2/c1-9(2,11-8(12)13)7-5-3-10-4-6(5)7/h5-7,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyVMUBMLAWNMMIPM-UHFFFAOYSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847
tert-butylcarbamic acid;piperazine
CID 70137961
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 167524503
(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 130662861
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
N-(2-cyclobutylpropan-2-yl)azetidine-3-carboxamide
CID 131001608
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methyl-2-phenylpropanamide
CID 43594425

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid (CID 154998463) is 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid is CC(C)(NC(=O)O)C1C2CNCC21.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid?
The InChIKey is VMUBMLAWNMMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,11-8(12)13)7-5-3-10-4-6(5)7/h5-7,10-11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid?
2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid has a molecular weight of 184.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid is sourced from PubChem (CID 154998463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).