3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid

C8H13NO3 — CID 67969119

IUPAC3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CCC1CN(C(=O)O)CC1O
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12)
InChIKeyIJWIYSSYYZHTCD-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.53
Rot. Bonds2

About 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid

3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid (PubChem CID 67969119) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
PubChem CID67969119
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CCC1CN(C(=O)O)CC1O
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12)
InChIKeyIJWIYSSYYZHTCD-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-tert-Butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 86335709
Tert-butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 20780852
1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
3-Ethenyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 67033122
(3R,4S)-3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
CID 67969118
(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 67969233
(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid
CID 68984326
(2S,4R)-4-hydroxy-2-(4-methylpent-1-enyl)pyrrolidine-1-carboxylic acid
CID 68984327
(3R,4S)-3-hydroxy-4-prop-1-en-2-ylpyrrolidine-1-carboxylic acid
CID 69675758
3-Hydroxy-4-prop-1-en-2-ylpyrrolidine-1-carboxylic acid
CID 69675760
(3S,4S)-tert-Butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 86335708
trans 1-Boc-3-allyl-4-hydroxypyrrolidine
CID 86335710

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid (CID 67969119) is 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid is C=CCC1CN(C(=O)O)CC1O.
What is the InChIKey of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The InChIKey is IJWIYSSYYZHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12).
What are the key properties of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67969119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).