2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide

C12H21N3O4 — CID 19705503

IUPAC2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(C)CC1(CC(N)=O)CCN(CC(=O)NO)C1=O
InChIInChI=1S/C12H21N3O4/c1-8(2)5-12(6-9(13)16)3-4-15(11(12)18)7-10(17)14-19/h8,19H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyVCTJSRKDMHXQLL-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.37
Rot. Bonds6

About 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide

2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 19705503) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID19705503
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(C)CC1(CC(N)=O)CCN(CC(=O)NO)C1=O
InChIInChI=1S/C12H21N3O4/c1-8(2)5-12(6-9(13)16)3-4-15(11(12)18)7-10(17)14-19/h8,19H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyVCTJSRKDMHXQLL-UHFFFAOYSA-N
XLogP-0.37
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide (CID 19705503) is 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide is CC(C)CC1(CC(N)=O)CCN(CC(=O)NO)C1=O.
What is the InChIKey of 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is VCTJSRKDMHXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(2)5-12(6-9(13)16)3-4-15(11(12)18)7-10(17)14-19/h8,19H,3-7H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 271.32 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 19705503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).