[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid

C9H15NO4 — CID 143391184

IUPAC[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)[C@@H](C=C)[C@H](O)CO
InChIInChI=1S/C9H15NO4/c1-3-5-10(9(13)14)7(4-2)8(12)6-11/h3-4,7-8,11-12H,1-2,5-6H2,(H,13,14)/t7-,8+/m0/s1
InChIKeyOLNVLOGQZNVDHO-JGVFFNPUSA-N
MW201.22 g/mol
LogP0.06
Rot. Bonds6

About [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid

[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid (PubChem CID 143391184) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid
PubChem CID143391184
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)[C@@H](C=C)[C@H](O)CO
InChIInChI=1S/C9H15NO4/c1-3-5-10(9(13)14)7(4-2)8(12)6-11/h3-4,7-8,11-12H,1-2,5-6H2,(H,13,14)/t7-,8+/m0/s1
InChIKeyOLNVLOGQZNVDHO-JGVFFNPUSA-N
XLogP0.06
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
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-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 45101552
tert-butyl N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275
(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]-N-prop-2-enylcarbamate
CID 16069459
tert-butyl (2S)-2-[(1S)-1,2-dihydroxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 16069460
tert-butyl 2-[(1S)-1,2-dihydroxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 69499669
tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate
CID 73232151
1-Hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid
CID 89312299
2-Hydroxypent-4-enyl(prop-2-enyl)carbamic acid
CID 132114919
tert-butyl N-[(2S,3S)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 11437184
Tert-butyl 2-(1,2-dihydroxyethyl)-2,5-dihydropyrrole-1-carboxylate
CID 73232152

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid?
The IUPAC name of [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid (CID 143391184) is [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid.
What is the SMILES notation for [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid?
The canonical SMILES for [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid is C=CCN(C(=O)O)[C@@H](C=C)[C@H](O)CO.
What is the InChIKey of [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid?
The InChIKey is OLNVLOGQZNVDHO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-5-10(9(13)14)7(4-2)8(12)6-11/h3-4,7-8,11-12H,1-2,5-6H2,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid?
[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid has a molecular weight of 201.22 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid is sourced from PubChem (CID 143391184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).