3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one

C9H17N3O2 — CID 165399319

IUPAC3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one
SMILESCN(CC(=O)CN)CC1CCNC1=O
InChIInChI=1S/C9H17N3O2/c1-12(6-8(13)4-10)5-7-2-3-11-9(7)14/h7H,2-6,10H2,1H3,(H,11,14)
InChIKeyJRYGKTGQWBDGAM-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.42
Rot. Bonds5

About 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one

3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one (PubChem CID 165399319) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one
PubChem CID165399319
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one
SMILESCN(CC(=O)CN)CC1CCNC1=O
InChIInChI=1S/C9H17N3O2/c1-12(6-8(13)4-10)5-7-2-3-11-9(7)14/h7H,2-6,10H2,1H3,(H,11,14)
InChIKeyJRYGKTGQWBDGAM-UHFFFAOYSA-N
XLogP-1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one (CID 165399319) is 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one is CN(CC(=O)CN)CC1CCNC1=O.
What is the InChIKey of 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is JRYGKTGQWBDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12(6-8(13)4-10)5-7-2-3-11-9(7)14/h7H,2-6,10H2,1H3,(H,11,14).
What are the key properties of 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one?
3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 165399319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).