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

C8H13NO3 — CID 582594

IUPAC4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CCC1(C(=O)O)CC(O)CN1
InChIInChI=1S/C8H13NO3/c1-2-3-8(7(11)12)4-6(10)5-9-8/h2,6,9-10H,1,3-5H2,(H,11,12)
InChIKeyAHSQAUFWDNLJJO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.26
Rot. Bonds3

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

4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid (PubChem CID 582594) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid
PubChem CID582594
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CCC1(C(=O)O)CC(O)CN1
InChIInChI=1S/C8H13NO3/c1-2-3-8(7(11)12)4-6(10)5-9-8/h2,6,9-10H,1,3-5H2,(H,11,12)
InChIKeyAHSQAUFWDNLJJO-UHFFFAOYSA-N
XLogP-0.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.26
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

4-hydroxypyrrolidine-2,2-dicarboxylic acid
CID 19426691
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid
CID 174165253
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
4-prop-2-enylbicyclo[2.2.2]octane-1-carboxylic acid
CID 70476769
(1R,3S,4S,5R)-3-ethenyl-1,4,5-trihydroxycyclohexane-1-carboxylic acid
CID 70020564
(2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 175793603
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
cis-(1R,6S)-2,2,6-trimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 121395484

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid (CID 582594) is 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid is C=CCC1(C(=O)O)CC(O)CN1.
What is the InChIKey of 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The InChIKey is AHSQAUFWDNLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-8(7(11)12)4-6(10)5-9-8/h2,6,9-10H,1,3-5H2,(H,11,12).
What are the key properties of 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid?
4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 582594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).