tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate

C12H21NO3 — CID 59044921

IUPACtert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
SMILESCC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C12H21NO3/c1-6-9-7-12(9,8(2)14)13-10(15)16-11(3,4)5/h9H,6-7H2,1-5H3,(H,13,15)/t9-,12-/m0/s1
InChIKeyUKTVVWLAFAISAM-CABZTGNLSA-N
MW227.30 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate

tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate (PubChem CID 59044921) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
PubChem CID59044921
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
SMILESCC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C12H21NO3/c1-6-9-7-12(9,8(2)14)13-10(15)16-11(3,4)5/h9H,6-7H2,1-5H3,(H,13,15)/t9-,12-/m0/s1
InChIKeyUKTVVWLAFAISAM-CABZTGNLSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152
2-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 67030541
cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10988547
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
CID 130004224
methyl (1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-oxoethyl)cyclopropane-1-carboxylate
CID 89165047
methyl 2-[bromo(tritio)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10892268
tert-butyl N-[(1R,2R)-2-ethyl-1-[(2-methylphenyl)sulfonylcarbamoyl]cyclopropyl]carbamate
CID 59441350
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate (CID 59044921) is tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate is CC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(C)=O.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate?
The InChIKey is UKTVVWLAFAISAM-CABZTGNLSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-9-7-12(9,8(2)14)13-10(15)16-11(3,4)5/h9H,6-7H2,1-5H3,(H,13,15)/t9-,12-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate is sourced from PubChem (CID 59044921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).