prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate

C10H17NO3 — CID 156808162

IUPACprop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESC=CCOC(=O)CC(O)[C@@H]1CCCN1
InChIInChI=1S/C10H17NO3/c1-2-6-14-10(13)7-9(12)8-4-3-5-11-8/h2,8-9,11-12H,1,3-7H2/t8-,9?/m0/s1
InChIKeyWCHQASXFUUCMEG-IENPIDJESA-N
MW199.25 g/mol
LogP0.22
Rot. Bonds5

About prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate

prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 156808162) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID156808162
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameprop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESC=CCOC(=O)CC(O)[C@@H]1CCCN1
InChIInChI=1S/C10H17NO3/c1-2-6-14-10(13)7-9(12)8-4-3-5-11-8/h2,8-9,11-12H,1,3-7H2/t8-,9?/m0/s1
InChIKeyWCHQASXFUUCMEG-IENPIDJESA-N
XLogP0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
prop-2-enyl (3R)-3-hydroxy-4-methylpentanoate
CID 11073867
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
1-piperidin-2-ylprop-2-en-1-ol
CID 106634606
prop-2-enyl 3-hydroxybutanoate
CID 14360290
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 101351583
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
ethenyl pyrrolidine-2-carboxylate
CID 77217277

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate (CID 156808162) is prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate is C=CCOC(=O)CC(O)[C@@H]1CCCN1.
What is the InChIKey of prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is WCHQASXFUUCMEG-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-6-14-10(13)7-9(12)8-4-3-5-11-8/h2,8-9,11-12H,1,3-7H2/t8-,9?/m0/s1.
What are the key properties of prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 156808162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).