tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate

C14H27NO3 — CID 165095069

IUPACtert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
SMILESCCCC[C@]1(N(CC)C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C14H27NO3/c1-6-8-9-14(10-11(14)16)15(7-2)12(17)18-13(3,4)5/h11,16H,6-10H2,1-5H3/t11?,14-/m0/s1
InChIKeyXIYVAKMRCXHYNV-IAXJKZSUSA-N
MW257.37 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate

tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate (PubChem CID 165095069) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
PubChem CID165095069
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
SMILESCCCC[C@]1(N(CC)C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C14H27NO3/c1-6-8-9-14(10-11(14)16)15(7-2)12(17)18-13(3,4)5/h11,16H,6-10H2,1-5H3/t11?,14-/m0/s1
InChIKeyXIYVAKMRCXHYNV-IAXJKZSUSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-2-(butoxymethyl)-1-(hydroxymethyl)cyclopropyl]-N-ethylcarbamate
CID 90323172
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
CID 84692072
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663418
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate (CID 165095069) is tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate is CCCC[C@]1(N(CC)C(=O)OC(C)(C)C)CC1O.
What is the InChIKey of tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate?
The InChIKey is XIYVAKMRCXHYNV-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-8-9-14(10-11(14)16)15(7-2)12(17)18-13(3,4)5/h11,16H,6-10H2,1-5H3/t11?,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate?
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate has a molecular weight of 257.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate is sourced from PubChem (CID 165095069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).