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

C19H33N3O5 — CID 23520212

IUPAC(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C19H33N3O5/c1-2-3-10-14(16(23)18(25)21-27)19(26)22-12-7-11-15(22)17(24)20-13-8-5-4-6-9-13/h13-16,23,27H,2-12H2,1H3,(H,20,24)(H,21,25)/t14-,15+,16+/m1/s1
InChIKeyKNGLMGNOSXVZEO-PMPSAXMXSA-N
MW383.49 g/mol
LogP1.10
Rot. Bonds8

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

(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 23520212) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID23520212
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C19H33N3O5/c1-2-3-10-14(16(23)18(25)21-27)19(26)22-12-7-11-15(22)17(24)20-13-8-5-4-6-9-13/h13-16,23,27H,2-12H2,1H3,(H,20,24)(H,21,25)/t14-,15+,16+/m1/s1
InChIKeyKNGLMGNOSXVZEO-PMPSAXMXSA-N
XLogP1.10
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide (CID 23520212) is (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCCC1)[C@H](O)C(=O)NO.
What is the InChIKey of (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is KNGLMGNOSXVZEO-PMPSAXMXSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-2-3-10-14(16(23)18(25)21-27)19(26)22-12-7-11-15(22)17(24)20-13-8-5-4-6-9-13/h13-16,23,27H,2-12H2,1H3,(H,20,24)(H,21,25)/t14-,15+,16+/m1/s1.
What are the key properties of (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.10, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23520212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).