tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate

C13H23NO4 — CID 73232151

IUPACtert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C=C)C(O)CO
InChIInChI=1S/C13H23NO4/c1-6-8-14(10(7-2)11(16)9-15)12(17)18-13(3,4)5/h6-7,10-11,15-16H,1-2,8-9H2,3-5H3
InChIKeyIKRYWMFRKJTPDV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.32
Rot. Bonds6

About tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate

tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate (PubChem CID 73232151) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate
PubChem CID73232151
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C=C)C(O)CO
InChIInChI=1S/C13H23NO4/c1-6-8-14(10(7-2)11(16)9-15)12(17)18-13(3,4)5/h6-7,10-11,15-16H,1-2,8-9H2,3-5H3
InChIKeyIKRYWMFRKJTPDV-UHFFFAOYSA-N
XLogP1.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R,3R)-1,2-dihydroxy-5-methylhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 23628356
tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 23628358
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 N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275
tert-butyl (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101837015
(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11310110
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
tert-butyl (2R,3S)-2-ethenyl-3-hydroxypyrrolidine-1-carboxylate
CID 11009286
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-N-prop-2-enylcarbamate
CID 16069459
tert-butyl (2S)-2-[(1S)-1,2-dihydroxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 16069460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate (CID 73232151) is tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)C(C=C)C(O)CO.
What is the InChIKey of tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate?
The InChIKey is IKRYWMFRKJTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-6-8-14(10(7-2)11(16)9-15)12(17)18-13(3,4)5/h6-7,10-11,15-16H,1-2,8-9H2,3-5H3.
What are the key properties of tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate?
tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 73232151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).