N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide

C9H15N3O3 — CID 3050865

IUPACN-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCC(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c1-6(9(15)11-5-7(10)13)12-4-2-3-8(12)14/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)
InChIKeyBLCAGFUPTVBLJY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.40
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide

N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 3050865) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID3050865
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCC(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c1-6(9(15)11-5-7(10)13)12-4-2-3-8(12)14/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)
InChIKeyBLCAGFUPTVBLJY-UHFFFAOYSA-N
XLogP-1.40
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide (CID 3050865) is N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide is CC(C(=O)NCC(N)=O)N1CCCC1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is BLCAGFUPTVBLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(9(15)11-5-7(10)13)12-4-2-3-8(12)14/h6H,2-5H2,1H3,(H2,10,13)(H,11,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide?
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 213.24 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 3050865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).