ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

C9H16N2O2 — CID 58960889

IUPACethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCCOC(=O)N[C@@H]1[C@H]2CNC[C@]21C
InChIInChI=1S/C9H16N2O2/c1-3-13-8(12)11-7-6-4-10-5-9(6,7)2/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1
InChIKeyVPRIMSCHBOGXKO-ZXFLCMHBSA-N
MW184.24 g/mol
LogP0.34
Rot. Bonds2

About ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 58960889) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
PubChem CID58960889
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCCOC(=O)N[C@@H]1[C@H]2CNC[C@]21C
InChIInChI=1S/C9H16N2O2/c1-3-13-8(12)11-7-6-4-10-5-9(6,7)2/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1
InChIKeyVPRIMSCHBOGXKO-ZXFLCMHBSA-N
XLogP0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
ethyl N-[(1R,2S,3R,4S)-3-(ethoxycarbonylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 11868331
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
ethyl N-(2,2-dimethylthietan-3-yl)carbamate
CID 130725515
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 154382947
2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 156540404
ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate
CID 134123349
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl N-[(1S,2R,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 7054096

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The IUPAC name of ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (CID 58960889) is ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.
What is the SMILES notation for ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The canonical SMILES for ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is CCOC(=O)N[C@@H]1[C@H]2CNC[C@]21C.
What is the InChIKey of ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The InChIKey is VPRIMSCHBOGXKO-ZXFLCMHBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-13-8(12)11-7-6-4-10-5-9(6,7)2/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1.
What are the key properties of ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 184.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S,5R,6R)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 58960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).