prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate

C8H15NO4 — CID 88907307

IUPACprop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](CO)[C@H](C)O
InChIInChI=1S/C8H15NO4/c1-3-4-13-8(12)9-7(5-10)6(2)11/h3,6-7,10-11H,1,4-5H2,2H3,(H,9,12)/t6-,7-/m0/s1
InChIKeyOXFJVFYMBVPEEZ-BQBZGAKWSA-N
MW189.21 g/mol
LogP-0.36
Rot. Bonds5

About prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate

prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate (PubChem CID 88907307) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate
PubChem CID88907307
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameprop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](CO)[C@H](C)O
InChIInChI=1S/C8H15NO4/c1-3-4-13-8(12)9-7(5-10)6(2)11/h3,6-7,10-11H,1,4-5H2,2H3,(H,9,12)/t6-,7-/m0/s1
InChIKeyOXFJVFYMBVPEEZ-BQBZGAKWSA-N
XLogP-0.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate (CID 88907307) is prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate is C=CCOC(=O)N[C@@H](CO)[C@H](C)O.
What is the InChIKey of prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate?
The InChIKey is OXFJVFYMBVPEEZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-4-13-8(12)9-7(5-10)6(2)11/h3,6-7,10-11H,1,4-5H2,2H3,(H,9,12)/t6-,7-/m0/s1.
What are the key properties of prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate?
prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate has a molecular weight of 189.21 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S,3S)-1,3-dihydroxybutan-2-yl]carbamate is sourced from PubChem (CID 88907307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).