(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one

C4H8N2O3 — CID 15177828

IUPAC(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one
SMILESN[C@H]1C(=O)N(O)C[C@H]1O
InChIInChI=1S/C4H8N2O3/c5-3-2(7)1-6(9)4(3)8/h2-3,7,9H,1,5H2/t2-,3-/m1/s1
InChIKeyVGRRTBHWJUGFGT-PWNYCUMCSA-N
MW132.12 g/mol
LogP-2.09
Rot. Bonds

About (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one

(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one (PubChem CID 15177828) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one
PubChem CID15177828
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one
SMILESN[C@H]1C(=O)N(O)C[C@H]1O
InChIInChI=1S/C4H8N2O3/c5-3-2(7)1-6(9)4(3)8/h2-3,7,9H,1,5H2/t2-,3-/m1/s1
InChIKeyVGRRTBHWJUGFGT-PWNYCUMCSA-N
XLogP-2.09
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one (CID 15177828) is (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one is N[C@H]1C(=O)N(O)C[C@H]1O.
What is the InChIKey of (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one?
The InChIKey is VGRRTBHWJUGFGT-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-3-2(7)1-6(9)4(3)8/h2-3,7,9H,1,5H2/t2-,3-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one?
(3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one has a molecular weight of 132.12 g/mol, XLogP of -2.09, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1,4-dihydroxypyrrolidin-2-one is sourced from PubChem (CID 15177828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).