(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

C14H26N4O4 — CID 59908743

IUPAC(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO
InChIInChI=1S/C14H26N4O4/c1-10(2)6-8-17(9-12(19)16-22)14(21)18-7-4-5-11(18)13(20)15-3/h10-11,22H,4-9H2,1-3H3,(H,15,20)(H,16,19)/t11-/m0/s1
InChIKeyQAPVCQBJHGAYRG-NSHDSACASA-N
MW314.39 g/mol
LogP0.17
Rot. Bonds6

About (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 59908743) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
PubChem CID59908743
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO
InChIInChI=1S/C14H26N4O4/c1-10(2)6-8-17(9-12(19)16-22)14(21)18-7-4-5-11(18)13(20)15-3/h10-11,22H,4-9H2,1-3H3,(H,15,20)(H,16,19)/t11-/m0/s1
InChIKeyQAPVCQBJHGAYRG-NSHDSACASA-N
XLogP0.17
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.17
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 (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (CID 59908743) is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is CNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO.
What is the InChIKey of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QAPVCQBJHGAYRG-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N4O4/c1-10(2)6-8-17(9-12(19)16-22)14(21)18-7-4-5-11(18)13(20)15-3/h10-11,22H,4-9H2,1-3H3,(H,15,20)(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59908743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).