1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide

C16H25N5O5 — CID 22666956

IUPAC1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(C(=O)N1CCCC1C(=O)Nc1ncc[nH]1)C(O)C(=O)NO
InChIInChI=1S/C16H25N5O5/c1-2-3-5-10(12(22)14(24)20-26)15(25)21-9-4-6-11(21)13(23)19-16-17-7-8-18-16/h7-8,10-12,22,26H,2-6,9H2,1H3,(H,20,24)(H2,17,18,19,23)
InChIKeyLZKHJQZZUVWBJZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.01
Rot. Bonds8

About 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide

1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 22666956) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID22666956
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Name1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(C(=O)N1CCCC1C(=O)Nc1ncc[nH]1)C(O)C(=O)NO
InChIInChI=1S/C16H25N5O5/c1-2-3-5-10(12(22)14(24)20-26)15(25)21-9-4-6-11(21)13(23)19-16-17-7-8-18-16/h7-8,10-12,22,26H,2-6,9H2,1H3,(H,20,24)(H2,17,18,19,23)
InChIKeyLZKHJQZZUVWBJZ-UHFFFAOYSA-N
XLogP0.01
TPSA147.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide (CID 22666956) is 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide is CCCCC(C(=O)N1CCCC1C(=O)Nc1ncc[nH]1)C(O)C(=O)NO.
What is the InChIKey of 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is LZKHJQZZUVWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-2-3-5-10(12(22)14(24)20-26)15(25)21-9-4-6-11(21)13(23)19-16-17-7-8-18-16/h7-8,10-12,22,26H,2-6,9H2,1H3,(H,20,24)(H2,17,18,19,23).
What are the key properties of 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.01, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22666956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).