(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid

C9H15NO3 — CID 141291203

IUPAC(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CC[C@H]1CC[C@@H](CO)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-3-7-4-5-8(6-11)10(7)9(12)13/h2,7-8,11H,1,3-6H2,(H,12,13)/t7-,8-/m0/s1
InChIKeyRYAOYYPBZIHBJR-YUMQZZPRSA-N
MW185.22 g/mol
LogP1.07
Rot. Bonds3

About (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid

(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid (PubChem CID 141291203) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid
PubChem CID141291203
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CC[C@H]1CC[C@@H](CO)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-3-7-4-5-8(6-11)10(7)9(12)13/h2,7-8,11H,1,3-6H2,(H,12,13)/t7-,8-/m0/s1
InChIKeyRYAOYYPBZIHBJR-YUMQZZPRSA-N
XLogP1.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.07
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 (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid (CID 141291203) is (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid is C=CC[C@H]1CC[C@@H](CO)N1C(=O)O.
What is the InChIKey of (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid?
The InChIKey is RYAOYYPBZIHBJR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-7-4-5-8(6-11)10(7)9(12)13/h2,7-8,11H,1,3-6H2,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid?
(2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141291203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).