3-(2-amino-3-oxobutyl)pyrrolidin-2-one

C8H14N2O2 — CID 22980710

IUPAC3-(2-amino-3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)C(N)CC1CCNC1=O
InChIInChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)
InChIKeySFDIYLJAXOWYNO-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.57
Rot. Bonds3

About 3-(2-amino-3-oxobutyl)pyrrolidin-2-one

3-(2-amino-3-oxobutyl)pyrrolidin-2-one (PubChem CID 22980710) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(2-amino-3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-3-oxobutyl)pyrrolidin-2-one
PubChem CID22980710
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(2-amino-3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)C(N)CC1CCNC1=O
InChIInChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)
InChIKeySFDIYLJAXOWYNO-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-amino-3-oxobutyl)pyrrolidin-2-one (CID 22980710) is 3-(2-amino-3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-3-oxobutyl)pyrrolidin-2-one is CC(=O)C(N)CC1CCNC1=O.
What is the InChIKey of 3-(2-amino-3-oxobutyl)pyrrolidin-2-one?
The InChIKey is SFDIYLJAXOWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12).
What are the key properties of 3-(2-amino-3-oxobutyl)pyrrolidin-2-one?
3-(2-amino-3-oxobutyl)pyrrolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 22980710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).