2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide

C7H13N3O3 — CID 112673797

IUPAC2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide
SMILESCN1CCC(NOCC(N)=O)C1=O
InChIInChI=1S/C7H13N3O3/c1-10-3-2-5(7(10)12)9-13-4-6(8)11/h5,9H,2-4H2,1H3,(H2,8,11)
InChIKeyGBKODGNLXHJGCE-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.78
Rot. Bonds4

About 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide

2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide (PubChem CID 112673797) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide
PubChem CID112673797
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide
SMILESCN1CCC(NOCC(N)=O)C1=O
InChIInChI=1S/C7H13N3O3/c1-10-3-2-5(7(10)12)9-13-4-6(8)11/h5,9H,2-4H2,1H3,(H2,8,11)
InChIKeyGBKODGNLXHJGCE-UHFFFAOYSA-N
XLogP-1.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxy-3-amino-2-pyrrolidone
CID 1232
(3R)-3-amino-1-hydroxypyrrolidin-2-one
CID 6603720
(3S)-3-Amino-1-hydroxy-2-pyrrolidinone
CID 183351
(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one
CID 164673460
1-Hydroxy-2-oxopyrrolidin-3-aminium
CID 40466927
1-Methyl-3-(2,2,2-trifluoroethoxyamino)pyrrolidin-2-one
CID 82722007
(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one
CID 59215936
3-Amino-1-ethoxypyrrolidin-2-one
CID 59657825
3-Amino-1-propan-2-yloxypyrrolidin-2-one
CID 59657868
3-Amino-1-(2-methoxyethyl)pyrrolidin-2-one
CID 61549121
(3S)-3-amino-1-butoxypyrrolidin-2-one
CID 89048212
3-Amino-1-methoxypyrrolidin-2-one
CID 89298068

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide?
The IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide (CID 112673797) is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide.
What is the SMILES notation for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide?
The canonical SMILES for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide is CN1CCC(NOCC(N)=O)C1=O.
What is the InChIKey of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide?
The InChIKey is GBKODGNLXHJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-10-3-2-5(7(10)12)9-13-4-6(8)11/h5,9H,2-4H2,1H3,(H2,8,11).
What are the key properties of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide?
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide has a molecular weight of 187.20 g/mol, XLogP of -1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]oxyacetamide is sourced from PubChem (CID 112673797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).