(3S,4R)-3,4-diaminopyrrolidin-2-one

C4H9N3O — CID 55291509

IUPAC(3S,4R)-3,4-diaminopyrrolidin-2-one
SMILESN[C@@H]1CNC(=O)[C@H]1N
InChIInChI=1S/C4H9N3O/c5-2-1-7-4(8)3(2)6/h2-3H,1,5-6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyMKMQQCPYKCENHE-GBXIJSLDSA-N
MW115.14 g/mol
LogP-2.23
Rot. Bonds

About (3S,4R)-3,4-diaminopyrrolidin-2-one

(3S,4R)-3,4-diaminopyrrolidin-2-one (PubChem CID 55291509) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (3S,4R)-3,4-diaminopyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-diaminopyrrolidin-2-one
PubChem CID55291509
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(3S,4R)-3,4-diaminopyrrolidin-2-one
SMILESN[C@@H]1CNC(=O)[C@H]1N
InChIInChI=1S/C4H9N3O/c5-2-1-7-4(8)3(2)6/h2-3H,1,5-6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyMKMQQCPYKCENHE-GBXIJSLDSA-N
XLogP-2.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-diaminopyrrolidin-2-one?
The IUPAC name of (3S,4R)-3,4-diaminopyrrolidin-2-one (CID 55291509) is (3S,4R)-3,4-diaminopyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3,4-diaminopyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3,4-diaminopyrrolidin-2-one is N[C@@H]1CNC(=O)[C@H]1N.
What is the InChIKey of (3S,4R)-3,4-diaminopyrrolidin-2-one?
The InChIKey is MKMQQCPYKCENHE-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9N3O/c5-2-1-7-4(8)3(2)6/h2-3H,1,5-6H2,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of (3S,4R)-3,4-diaminopyrrolidin-2-one?
(3S,4R)-3,4-diaminopyrrolidin-2-one has a molecular weight of 115.14 g/mol, XLogP of -2.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-diaminopyrrolidin-2-one is sourced from PubChem (CID 55291509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).