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

C6H12N2O — CID 10654243

IUPAC(3S,4R)-3-amino-4-ethylpyrrolidin-2-one
SMILESCC[C@@H]1CNC(=O)[C@H]1N
InChIInChI=1S/C6H12N2O/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyXBUCGJWKELNMPB-UHNVWZDZSA-N
MW128.17 g/mol
LogP-0.53
Rot. Bonds1

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

(3S,4R)-3-amino-4-ethylpyrrolidin-2-one (PubChem CID 10654243) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-ethylpyrrolidin-2-one
PubChem CID10654243
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3S,4R)-3-amino-4-ethylpyrrolidin-2-one
SMILESCC[C@@H]1CNC(=O)[C@H]1N
InChIInChI=1S/C6H12N2O/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyXBUCGJWKELNMPB-UHNVWZDZSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-ethylpyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-ethylpyrrolidin-2-one (CID 10654243) is (3S,4R)-3-amino-4-ethylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-ethylpyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-ethylpyrrolidin-2-one is CC[C@@H]1CNC(=O)[C@H]1N.
What is the InChIKey of (3S,4R)-3-amino-4-ethylpyrrolidin-2-one?
The InChIKey is XBUCGJWKELNMPB-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-ethylpyrrolidin-2-one?
(3S,4R)-3-amino-4-ethylpyrrolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 10654243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).