2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

C9H15NO3 — CID 174752690

IUPAC2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SMILESC=C(C)C1CCNC1(CO)C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)7-3-4-10-9(7,5-11)8(12)13/h7,10-11H,1,3-5H2,2H3,(H,12,13)
InChIKeyPKBWRRRZFIVBCV-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.01
Rot. Bonds3

About 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 174752690) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
PubChem CID174752690
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SMILESC=C(C)C1CCNC1(CO)C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)7-3-4-10-9(7,5-11)8(12)13/h7,10-11H,1,3-5H2,2H3,(H,12,13)
InChIKeyPKBWRRRZFIVBCV-UHFFFAOYSA-N
XLogP-0.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid (CID 174752690) is 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid is C=C(C)C1CCNC1(CO)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is PKBWRRRZFIVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)7-3-4-10-9(7,5-11)8(12)13/h7,10-11H,1,3-5H2,2H3,(H,12,13).
What are the key properties of 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174752690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).