N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide

C14H18N2O5 — CID 59876340

IUPACN-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2[C@H](O)[C@H](O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H18N2O5/c1-7-2-4-8(5-3-7)13(19)15-11-9(14(20)16-21)6-10(17)12(11)18/h2-5,9-12,17-18,21H,6H2,1H3,(H,15,19)(H,16,20)/t9-,10+,11-,12+/m0/s1
InChIKeyURNPZJMBQGSVJA-WHOHXGKFSA-N
MW294.31 g/mol
LogP-0.66
Rot. Bonds3

About N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide

N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide (PubChem CID 59876340) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide
PubChem CID59876340
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2[C@H](O)[C@H](O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H18N2O5/c1-7-2-4-8(5-3-7)13(19)15-11-9(14(20)16-21)6-10(17)12(11)18/h2-5,9-12,17-18,21H,6H2,1H3,(H,15,19)(H,16,20)/t9-,10+,11-,12+/m0/s1
InChIKeyURNPZJMBQGSVJA-WHOHXGKFSA-N
XLogP-0.66
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 55
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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Related Compounds

N-[(1S,2S,3R,6S)-2,3-dihydroxy-6-(hydroxycarbamoyl)cyclohexyl]-4-methylbenzamide
CID 59876366
N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclopentyl]-4-methylbenzamide
CID 59876321
N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide
CID 59876316
N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
CID 78150918
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
CID 69063228
4-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
CID 13282862
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide?
The IUPAC name of N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide (CID 59876340) is N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2[C@H](O)[C@H](O)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide?
The InChIKey is URNPZJMBQGSVJA-WHOHXGKFSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-7-2-4-8(5-3-7)13(19)15-11-9(14(20)16-21)6-10(17)12(11)18/h2-5,9-12,17-18,21H,6H2,1H3,(H,15,19)(H,16,20)/t9-,10+,11-,12+/m0/s1.
What are the key properties of N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide?
N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide has a molecular weight of 294.31 g/mol, XLogP of -0.66, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 59876340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).