(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide

C19H36N4O4 — CID 59908753

IUPAC(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)NCCC(C)C
InChIInChI=1S/C19H36N4O4/c1-14(2)7-5-11-22(13-17(24)21-27)19(26)23-12-6-8-16(23)18(25)20-10-9-15(3)4/h14-16,27H,5-13H2,1-4H3,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyOYEIBUWWFMNRMG-INIZCTEOSA-N
MW384.52 g/mol
LogP1.98
Rot. Bonds10

About (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 59908753) has the molecular formula C19H36N4O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
PubChem CID59908753
Molecular FormulaC19H36N4O4
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)NCCC(C)C
InChIInChI=1S/C19H36N4O4/c1-14(2)7-5-11-22(13-17(24)21-27)19(26)23-12-6-8-16(23)18(25)20-10-9-15(3)4/h14-16,27H,5-13H2,1-4H3,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyOYEIBUWWFMNRMG-INIZCTEOSA-N
XLogP1.98
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.98
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-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide (CID 59908753) is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)NCCC(C)C.
What is the InChIKey of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is OYEIBUWWFMNRMG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H36N4O4/c1-14(2)7-5-11-22(13-17(24)21-27)19(26)23-12-6-8-16(23)18(25)20-10-9-15(3)4/h14-16,27H,5-13H2,1-4H3,(H,20,25)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 384.52 g/mol, XLogP of 1.98, 10 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-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).