tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate

C11H20BrNO2 — CID 69436573

IUPACtert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
SMILESC[C@H]1C[C@]1(CBr)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20BrNO2/c1-8-6-11(8,7-12)13(5)9(14)15-10(2,3)4/h8H,6-7H2,1-5H3/t8-,11+/m0/s1
InChIKeyYDCZAKYFRSQRLH-GZMMTYOYSA-N
MW278.19 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate

tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate (PubChem CID 69436573) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
PubChem CID69436573
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Nametert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
SMILESC[C@H]1C[C@]1(CBr)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20BrNO2/c1-8-6-11(8,7-12)13(5)9(14)15-10(2,3)4/h8H,6-7H2,1-5H3/t8-,11+/m0/s1
InChIKeyYDCZAKYFRSQRLH-GZMMTYOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2S)-1-[(6-chloro-3-pyridinyl)oxymethyl]-2-methylcyclopropyl]-N-methylcarbamate
CID 87833821
tert-butyl N-(1-cyano-3-methylcyclohexyl)-N-methylcarbamate
CID 138057758
1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid
CID 81468523
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663418
tert-butyl N-[2-(3,3-difluorocyclobutyl)-2-hydroxyethyl]-N-methylcarbamate
CID 167740963
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid
CID 69314557
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
CID 142576914
tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
CID 165471468
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate (CID 69436573) is tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate is C[C@H]1C[C@]1(CBr)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate?
The InChIKey is YDCZAKYFRSQRLH-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-8-6-11(8,7-12)13(5)9(14)15-10(2,3)4/h8H,6-7H2,1-5H3/t8-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate?
tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate has a molecular weight of 278.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 69436573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).