(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one

C4H8N2O2 — CID 642676

IUPAC(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
SMILESN[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C4H8N2O2/c5-3-2(7)1-6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1
InChIKeyUJKOPPMEGDPMLI-GBXIJSLDSA-N
MW116.12 g/mol
LogP-2.20
Rot. Bonds

About (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one

(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one (PubChem CID 642676) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
PubChem CID642676
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
SMILESN[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C4H8N2O2/c5-3-2(7)1-6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1
InChIKeyUJKOPPMEGDPMLI-GBXIJSLDSA-N
XLogP-2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one (CID 642676) is (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one is N[C@@H]1C(=O)NC[C@H]1O.
What is the InChIKey of (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one?
The InChIKey is UJKOPPMEGDPMLI-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-2(7)1-6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one?
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -2.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 642676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).