tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate

C9H17NO2 — CID 121309332

IUPACtert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
SMILESC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyZKLOWZYRIPLSEG-RNFRBKRXSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds1

About tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate

tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate (PubChem CID 121309332) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
PubChem CID121309332
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
SMILESC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyZKLOWZYRIPLSEG-RNFRBKRXSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
(1S,2R,4S,5S)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 59710782
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-(4-methylpyrrolidin-1-ium-3-yl)carbamate
CID 155619657
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate (CID 121309332) is tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate is C[C@@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate?
The InChIKey is ZKLOWZYRIPLSEG-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate?
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate is sourced from PubChem (CID 121309332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).