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

C11H21NO3 — CID 121388239

IUPACtert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(C)C[C@@H]1CO
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-11(4)5-8(11)6-13/h8,13H,5-7H2,1-4H3,(H,12,14)/t8-,11+/m1/s1
InChIKeyXFSABTSIGVBILZ-KCJUWKMLSA-N
MW215.29 g/mol
LogP1.53
Rot. Bonds3

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

tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate (PubChem CID 121388239) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
PubChem CID121388239
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(C)C[C@@H]1CO
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-11(4)5-8(11)6-13/h8,13H,5-7H2,1-4H3,(H,12,14)/t8-,11+/m1/s1
InChIKeyXFSABTSIGVBILZ-KCJUWKMLSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323073
tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
tert-butyl N-[[(3aR,6aS)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]carbamate
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cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
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tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
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5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]tricyclo[3.3.0.03,7]octane-1-carboxylic acid
CID 178200775
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate (CID 121388239) is tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@]1(C)C[C@@H]1CO.
What is the InChIKey of tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate?
The InChIKey is XFSABTSIGVBILZ-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-11(4)5-8(11)6-13/h8,13H,5-7H2,1-4H3,(H,12,14)/t8-,11+/m1/s1.
What are the key properties of tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate?
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate is sourced from PubChem (CID 121388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).