(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid

C7H11NO3 — CID 67969233

IUPAC(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESC=C[C@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H11NO3/c1-2-5-3-8(7(10)11)4-6(5)9/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6-/m0/s1
InChIKeyRFUZUPDIOSULLH-WDSKDSINSA-N
MW157.17 g/mol
LogP0.14
Rot. Bonds1

About (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid

(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 67969233) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID67969233
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESC=C[C@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H11NO3/c1-2-5-3-8(7(10)11)4-6(5)9/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6-/m0/s1
InChIKeyRFUZUPDIOSULLH-WDSKDSINSA-N
XLogP0.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.14
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 (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid (CID 67969233) is (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid is C=C[C@H]1CN(C(=O)O)C[C@@H]1O.
What is the InChIKey of (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is RFUZUPDIOSULLH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-5-3-8(7(10)11)4-6(5)9/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid?
(3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67969233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).