tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate

C10H19NO3 — CID 14541317

IUPACtert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-8,12H,1H2,2-5H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyWWOUESJNBBFXKX-JGVFFNPUSA-N
MW201.27 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate (PubChem CID 14541317) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
PubChem CID14541317
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-8,12H,1H2,2-5H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyWWOUESJNBBFXKX-JGVFFNPUSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.45
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-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
tert-butyl N-(4-hydroxy-2,2-dimethylhex-5-en-3-yl)carbamate
CID 85138928
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enoic acid
CID 146629748
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
CID 14541319
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
tert-butyl N-[(2S,3S)-1-(dimethylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 10777488
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate (CID 14541317) is tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate is C=C[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate?
The InChIKey is WWOUESJNBBFXKX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-8,12H,1H2,2-5H3,(H,11,13)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 14541317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).