tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate

C11H19NO2 — CID 163670253

IUPACtert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate
SMILESCC#CC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h9H,8H2,1-5H3,(H,12,13)/t9-/m1/s1
InChIKeyFKNGZIROFPYBCN-SECBINFHSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate

tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate (PubChem CID 163670253) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate
PubChem CID163670253
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate
SMILESCC#CC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h9H,8H2,1-5H3,(H,12,13)/t9-/m1/s1
InChIKeyFKNGZIROFPYBCN-SECBINFHSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
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tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-ynoic acid
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tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
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(2S,7S)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-ynedioic acid
CID 10692349
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
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propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
tert-butyl N-[(2R)-3,4-dideuterio-4-sulfanylbutan-2-yl]carbamate
CID 58618386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate (CID 163670253) is tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate is CC#CC[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate?
The InChIKey is FKNGZIROFPYBCN-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h9H,8H2,1-5H3,(H,12,13)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate?
tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-hex-4-yn-2-yl]carbamate is sourced from PubChem (CID 163670253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).