3-(4-amino-3-oxobutyl)pyrrolidin-2-one

C8H14N2O2 — CID 123790733

IUPAC3-(4-amino-3-oxobutyl)pyrrolidin-2-one
SMILESNCC(=O)CCC1CCNC1=O
InChIInChI=1S/C8H14N2O2/c9-5-7(11)2-1-6-3-4-10-8(6)12/h6H,1-5,9H2,(H,10,12)
InChIKeyMMVOJYXEUAVJEH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.57
Rot. Bonds4

About 3-(4-amino-3-oxobutyl)pyrrolidin-2-one

3-(4-amino-3-oxobutyl)pyrrolidin-2-one (PubChem CID 123790733) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(4-amino-3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-3-oxobutyl)pyrrolidin-2-one
PubChem CID123790733
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(4-amino-3-oxobutyl)pyrrolidin-2-one
SMILESNCC(=O)CCC1CCNC1=O
InChIInChI=1S/C8H14N2O2/c9-5-7(11)2-1-6-3-4-10-8(6)12/h6H,1-5,9H2,(H,10,12)
InChIKeyMMVOJYXEUAVJEH-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(4-amino-3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-amino-3-oxobutyl)pyrrolidin-2-one (CID 123790733) is 3-(4-amino-3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-amino-3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-amino-3-oxobutyl)pyrrolidin-2-one is NCC(=O)CCC1CCNC1=O.
What is the InChIKey of 3-(4-amino-3-oxobutyl)pyrrolidin-2-one?
The InChIKey is MMVOJYXEUAVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-5-7(11)2-1-6-3-4-10-8(6)12/h6H,1-5,9H2,(H,10,12).
What are the key properties of 3-(4-amino-3-oxobutyl)pyrrolidin-2-one?
3-(4-amino-3-oxobutyl)pyrrolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 123790733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).