(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid

C8H13NO3 — CID 69317590

IUPAC(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1/C=C/CO
InChIInChI=1S/C8H13NO3/c10-6-2-4-7-3-1-5-9(7)8(11)12/h2,4,7,10H,1,3,5-6H2,(H,11,12)/b4-2+/t7-/m1/s1
InChIKeyKYNWZZKLUDZFLB-NUOXCJHRSA-N
MW171.20 g/mol
LogP0.68
Rot. Bonds2

About (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid

(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid (PubChem CID 69317590) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid
PubChem CID69317590
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1/C=C/CO
InChIInChI=1S/C8H13NO3/c10-6-2-4-7-3-1-5-9(7)8(11)12/h2,4,7,10H,1,3,5-6H2,(H,11,12)/b4-2+/t7-/m1/s1
InChIKeyKYNWZZKLUDZFLB-NUOXCJHRSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid (CID 69317590) is (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@@H]1/C=C/CO.
What is the InChIKey of (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid?
The InChIKey is KYNWZZKLUDZFLB-NUOXCJHRSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-2-4-7-3-1-5-9(7)8(11)12/h2,4,7,10H,1,3,5-6H2,(H,11,12)/b4-2+/t7-/m1/s1.
What are the key properties of (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69317590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).