N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C12H20N4O4 — CID 88940230

IUPACN-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CCCN2)C(=O)N1CC(=O)NO
InChIInChI=1S/C12H20N4O4/c1-7-5-9(12(19)16(7)6-10(17)15-20)14-11(18)8-3-2-4-13-8/h7-9,13,20H,2-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyHWNYBURLNBAMMW-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.65
Rot. Bonds4

About N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 88940230) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID88940230
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CCCN2)C(=O)N1CC(=O)NO
InChIInChI=1S/C12H20N4O4/c1-7-5-9(12(19)16(7)6-10(17)15-20)14-11(18)8-3-2-4-13-8/h7-9,13,20H,2-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyHWNYBURLNBAMMW-UHFFFAOYSA-N
XLogP-1.65
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119324335
(2S)-N-(2-oxooxolan-3-yl)pyrrolidine-2-carboxamide
CID 170277245
(2R)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 104901222
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 88940230) is N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is CC1CC(NC(=O)C2CCCN2)C(=O)N1CC(=O)NO.
What is the InChIKey of N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is HWNYBURLNBAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-7-5-9(12(19)16(7)6-10(17)15-20)14-11(18)8-3-2-4-13-8/h7-9,13,20H,2-6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of -1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 88940230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).