(3S)-3-hydroxypyrrolidin-2-one

C4H7NO2 — CID 11029774

IUPAC(3S)-3-hydroxypyrrolidin-2-one
SMILESO=C1NCC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyFRKGSNOMLIYPSH-VKHMYHEASA-N
MW101.10 g/mol
LogP-1.13
Rot. Bonds

About (3S)-3-hydroxypyrrolidin-2-one

(3S)-3-hydroxypyrrolidin-2-one (PubChem CID 11029774) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (3S)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxypyrrolidin-2-one
PubChem CID11029774
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(3S)-3-hydroxypyrrolidin-2-one
SMILESO=C1NCC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyFRKGSNOMLIYPSH-VKHMYHEASA-N
XLogP-1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxypyrrolidin-2-one (CID 11029774) is (3S)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxypyrrolidin-2-one is O=C1NCC[C@@H]1O.
What is the InChIKey of (3S)-3-hydroxypyrrolidin-2-one?
The InChIKey is FRKGSNOMLIYPSH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1.
What are the key properties of (3S)-3-hydroxypyrrolidin-2-one?
(3S)-3-hydroxypyrrolidin-2-one has a molecular weight of 101.10 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11029774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).