3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid

C8H15NO3 — CID 61407723

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC1CO
InChIInChI=1S/C8H15NO3/c10-6-7-2-1-4-9(7)5-3-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyHQXKTGYZEPLIIB-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.08
Rot. Bonds4

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid

3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 61407723) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID61407723
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC1CO
InChIInChI=1S/C8H15NO3/c10-6-7-2-1-4-9(7)5-3-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyHQXKTGYZEPLIIB-UHFFFAOYSA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid (CID 61407723) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is HQXKTGYZEPLIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-7-2-1-4-9(7)5-3-8(11)12/h7,10H,1-6H2,(H,11,12).
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 61407723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).