3-(3-hydroxypyrrolidin-1-yl)propanoic acid

C7H13NO3 — CID 62917334

IUPAC3-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(O)C1
InChIInChI=1S/C7H13NO3/c9-6-1-3-8(5-6)4-2-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyTXGQLSLNTCFQHM-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.47
Rot. Bonds3

About 3-(3-hydroxypyrrolidin-1-yl)propanoic acid

3-(3-hydroxypyrrolidin-1-yl)propanoic acid (PubChem CID 62917334) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)propanoic acid
PubChem CID62917334
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(O)C1
InChIInChI=1S/C7H13NO3/c9-6-1-3-8(5-6)4-2-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyTXGQLSLNTCFQHM-UHFFFAOYSA-N
XLogP-0.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)propanoic acid (CID 62917334) is 3-(3-hydroxypyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)propanoic acid is O=C(O)CCN1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The InChIKey is TXGQLSLNTCFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-6-1-3-8(5-6)4-2-7(10)11/h6,9H,1-5H2,(H,10,11).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
3-(3-hydroxypyrrolidin-1-yl)propanoic acid has a molecular weight of 159.18 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 62917334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).