(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid

C8H11NO3 — CID 125425353

IUPAC(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCNC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-8(7(11)12)4-5-9-6(8)10/h2H,1,3-5H2,(H,9,10)(H,11,12)/t8-/m1/s1
InChIKeyBVUVITIRHUXPRZ-MRVPVSSYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds3

About (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid

(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid (PubChem CID 125425353) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
PubChem CID125425353
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCNC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-8(7(11)12)4-5-9-6(8)10/h2H,1,3-5H2,(H,9,10)(H,11,12)/t8-/m1/s1
InChIKeyBVUVITIRHUXPRZ-MRVPVSSYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125426256
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125425373
2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid
CID 70565050
3-[(6-aminopyridazin-3-yl)methyl]-2-oxopiperidine-3-carboxylic acid
CID 170339483
3,3-bis(prop-2-enyl)piperidin-2-one;tert-butyl formate
CID 174764189
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
4-prop-2-enylbicyclo[2.2.2]octane-1-carboxylic acid
CID 70476769
2-benzoyl-2-prop-2-enylcyclohexan-1-one
CID 11736648
2-(4-amino-2-oxopiperidin-4-yl)acetic acid
CID 77219916
4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid
CID 582594
1,4-bis(prop-2-enyl)cyclohexane-1,4-diol
CID 15275260

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid (CID 125425353) is (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid is C=CC[C@@]1(C(=O)O)CCNC1=O.
What is the InChIKey of (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The InChIKey is BVUVITIRHUXPRZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-8(7(11)12)4-5-9-6(8)10/h2H,1,3-5H2,(H,9,10)(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid?
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125425353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).