(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide

C18H26N4O4 — CID 11210665

IUPAC(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccn1
InChIInChI=1S/C18H26N4O4/c1-2-3-7-14(12-21(26)13-23)18(25)22-11-6-8-15(22)17(24)20-16-9-4-5-10-19-16/h4-5,9-10,13-15,26H,2-3,6-8,11-12H2,1H3,(H,19,20,24)/t14-,15+/m1/s1
InChIKeyOQGLKSMKJDDPFV-CABCVRRESA-N
MW362.43 g/mol
LogP1.67
Rot. Bonds9

About (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 11210665) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID11210665
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccn1
InChIInChI=1S/C18H26N4O4/c1-2-3-7-14(12-21(26)13-23)18(25)22-11-6-8-15(22)17(24)20-16-9-4-5-10-19-16/h4-5,9-10,13-15,26H,2-3,6-8,11-12H2,1H3,(H,19,20,24)/t14-,15+/m1/s1
InChIKeyOQGLKSMKJDDPFV-CABCVRRESA-N
XLogP1.67
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide (CID 11210665) is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccn1.
What is the InChIKey of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OQGLKSMKJDDPFV-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-3-7-14(12-21(26)13-23)18(25)22-11-6-8-15(22)17(24)20-16-9-4-5-10-19-16/h4-5,9-10,13-15,26H,2-3,6-8,11-12H2,1H3,(H,19,20,24)/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11210665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).