tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate

C16H29NO3 — CID 10956996

IUPACtert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO
InChIInChI=1S/C16H29NO3/c1-6-9-16(17-14(19)20-15(3,4)5)10-7-8-13(16)12(2)11-18/h6,12-13,18H,1,7-11H2,2-5H3,(H,17,19)/t12-,13+,16+/m0/s1
InChIKeyHILOTQZPIIPLGW-WOSRLPQWSA-N
MW283.41 g/mol
LogP3.25
Rot. Bonds5

About tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (PubChem CID 10956996) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
PubChem CID10956996
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO
InChIInChI=1S/C16H29NO3/c1-6-9-16(17-14(19)20-15(3,4)5)10-7-8-13(16)12(2)11-18/h6,12-13,18H,1,7-11H2,2-5H3,(H,17,19)/t12-,13+,16+/m0/s1
InChIKeyHILOTQZPIIPLGW-WOSRLPQWSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
CID 11671194
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid
CID 67113604
tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323073
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-[(1R,5S)-2-(2-oxoethyl)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]carbamate
CID 87517304
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
2,4-dimethylpentan-2-yl (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,5-dioxo-4-prop-2-enylpyrrolidine-2-carboxylate
CID 69042452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (CID 10956996) is tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate is C=CC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The InChIKey is HILOTQZPIIPLGW-WOSRLPQWSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-9-16(17-14(19)20-15(3,4)5)10-7-8-13(16)12(2)11-18/h6,12-13,18H,1,7-11H2,2-5H3,(H,17,19)/t12-,13+,16+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate is sourced from PubChem (CID 10956996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).