N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide

C15H21N3O3 — CID 59876321

IUPACN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide
SMILESCNC1CC[C@H](C(=O)NO)C1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21N3O3/c1-9-3-5-10(6-4-9)14(19)17-13-11(15(20)18-21)7-8-12(13)16-2/h3-6,11-13,16,21H,7-8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12?,13?/m0/s1
InChIKeyTYKBIIORKPTTSX-HIFPTAJRSA-N
MW291.35 g/mol
LogP0.60
Rot. Bonds4

About N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide

N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide (PubChem CID 59876321) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide
PubChem CID59876321
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide
SMILESCNC1CC[C@H](C(=O)NO)C1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21N3O3/c1-9-3-5-10(6-4-9)14(19)17-13-11(15(20)18-21)7-8-12(13)16-2/h3-6,11-13,16,21H,7-8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12?,13?/m0/s1
InChIKeyTYKBIIORKPTTSX-HIFPTAJRSA-N
XLogP0.60
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide (CID 59876321) is N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide is CNC1CC[C@H](C(=O)NO)C1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide?
The InChIKey is TYKBIIORKPTTSX-HIFPTAJRSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-3-5-10(6-4-9)14(19)17-13-11(15(20)18-21)7-8-12(13)16-2/h3-6,11-13,16,21H,7-8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12?,13?/m0/s1.
What are the key properties of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide?
N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 59876321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).