(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide

C12H18N2O6 — CID 131874259

IUPAC(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide
SMILESCOc1cccc(NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1
InChIInChI=1S/C12H18N2O6/c1-20-8-4-2-3-7(5-8)13-14-12(19)11(18)10(17)9(16)6-15/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)/t9-,10-,11+/m1/s1
InChIKeyPUJRBOFTARENLB-MXWKQRLJSA-N
MW286.28 g/mol
LogP-1.79
Rot. Bonds7

About (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide

(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide (PubChem CID 131874259) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide
PubChem CID131874259
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide
SMILESCOc1cccc(NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1
InChIInChI=1S/C12H18N2O6/c1-20-8-4-2-3-7(5-8)13-14-12(19)11(18)10(17)9(16)6-15/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)/t9-,10-,11+/m1/s1
InChIKeyPUJRBOFTARENLB-MXWKQRLJSA-N
XLogP-1.79
TPSA131.28 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
[1-(3-methoxyanilino)-1-oxobutan-2-yl] 3-aminobenzoate
CID 23745027
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724234
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
2-ethyl-N-[4-(3-methoxyanilino)phenyl]butanamide
CID 112987415

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide?
The IUPAC name of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide (CID 131874259) is (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide.
What is the SMILES notation for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide?
The canonical SMILES for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide is COc1cccc(NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1.
What is the InChIKey of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide?
The InChIKey is PUJRBOFTARENLB-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-20-8-4-2-3-7(5-8)13-14-12(19)11(18)10(17)9(16)6-15/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)/t9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide?
(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide has a molecular weight of 286.28 g/mol, XLogP of -1.79, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide is sourced from PubChem (CID 131874259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).