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

C16H25N5O5 — CID 23520217

IUPAC(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncc[nH]1)[C@H](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)/t10-,11+,12+/m1/s1
InChIKeyLZKHJQZZUVWBJZ-WOPDTQHZSA-N
MW367.41 g/mol
LogP0.01
Rot. Bonds8

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

(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 23520217) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID23520217
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncc[nH]1)[C@H](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)/t10-,11+,12+/m1/s1
InChIKeyLZKHJQZZUVWBJZ-WOPDTQHZSA-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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Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520219
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 23520183
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520223
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520292
N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591393
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520271
N-(4-tert-butylphenyl)-1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 22666996
1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 22666965
1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59908496
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520290
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
CID 23591404
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
CID 23520297

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide (CID 23520217) is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncc[nH]1)[C@H](O)C(=O)NO.
What is the InChIKey of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is LZKHJQZZUVWBJZ-WOPDTQHZSA-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)/t10-,11+,12+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[(1S)-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 (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23520217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).