tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate

C14H25NO3 — CID 23628358

IUPACtert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](CO)CC(=C)C
InChIInChI=1S/C14H25NO3/c1-7-8-15(12(10-16)9-11(2)3)13(17)18-14(4,5)6/h7,12,16H,1-2,8-10H2,3-6H3/t12-/m1/s1
InChIKeyQQRMSFKQZPIKNC-GFCCVEGCSA-N
MW255.36 g/mol
LogP2.74
Rot. Bonds6

About tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate (PubChem CID 23628358) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
PubChem CID23628358
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](CO)CC(=C)C
InChIInChI=1S/C14H25NO3/c1-7-8-15(12(10-16)9-11(2)3)13(17)18-14(4,5)6/h7,12,16H,1-2,8-10H2,3-6H3/t12-/m1/s1
InChIKeyQQRMSFKQZPIKNC-GFCCVEGCSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 66733597
Tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate
CID 162786276
tert-butyl N-[(2R,3R)-1,2-dihydroxy-5-methylhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 23628356
tert-butyl (2R)-2-(hydroxymethyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 23628359
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 24854142
tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 45101552
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-butyl (2R)-2-[(1R)-1-hydroxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 45101556
tert-butyl N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275
tert-butyl N-[(2R,3S)-1,3-dihydroxyhexan-2-yl]-N-prop-2-enylcarbamate
CID 134859662
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 146165269
tert-butyl (2R,3S)-2-ethenyl-3-hydroxypyrrolidine-1-carboxylate
CID 11009286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate (CID 23628358) is tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H](CO)CC(=C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate?
The InChIKey is QQRMSFKQZPIKNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-7-8-15(12(10-16)9-11(2)3)13(17)18-14(4,5)6/h7,12,16H,1-2,8-10H2,3-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 23628358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).