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

C18H33N3O5 — CID 23520225

IUPAC(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C18H33N3O5/c1-3-5-7-11-19-16(23)14-10-8-12-21(14)18(25)13(9-6-4-2)15(22)17(24)20-26/h13-15,22,26H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,14+,15+/m1/s1
InChIKeyZXORBJUYAYIJJI-ILXRZTDVSA-N
MW371.48 g/mol
LogP0.96
Rot. Bonds11

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

(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide (PubChem CID 23520225) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
PubChem CID23520225
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C18H33N3O5/c1-3-5-7-11-19-16(23)14-10-8-12-21(14)18(25)13(9-6-4-2)15(22)17(24)20-26/h13-15,22,26H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,14+,15+/m1/s1
InChIKeyZXORBJUYAYIJJI-ILXRZTDVSA-N
XLogP0.96
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide (CID 23520225) is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)[C@H](O)C(=O)NO.
What is the InChIKey of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is ZXORBJUYAYIJJI-ILXRZTDVSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-3-5-7-11-19-16(23)14-10-8-12-21(14)18(25)13(9-6-4-2)15(22)17(24)20-26/h13-15,22,26H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,14+,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 0.96, 11 rotatable bonds, 4 hydrogen bond donors, and 5 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-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 23520225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).