ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate

C14H20N2O6 — CID 171898282

IUPACethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(OC)cc1C(=O)NN
InChIInChI=1S/C14H20N2O6/c1-3-22-12(18)7-11(17)13(19)9-5-4-8(21-2)6-10(9)14(20)16-15/h4-6,11,13,17,19H,3,7,15H2,1-2H3,(H,16,20)
InChIKeyUXXUCLLLMJQULX-UHFFFAOYSA-N
MW312.32 g/mol
LogP-0.35
Rot. Bonds7

About ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate

ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate (PubChem CID 171898282) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate
PubChem CID171898282
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(OC)cc1C(=O)NN
InChIInChI=1S/C14H20N2O6/c1-3-22-12(18)7-11(17)13(19)9-5-4-8(21-2)6-10(9)14(20)16-15/h4-6,11,13,17,19H,3,7,15H2,1-2H3,(H,16,20)
InChIKeyUXXUCLLLMJQULX-UHFFFAOYSA-N
XLogP-0.35
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide
CID 170828917
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzamide
CID 171899846
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzoic acid
CID 171899788
5-amino-2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171897848
ethyl 4-(2,3-difluoro-4-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171897738
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
2-(4-amino-1,2-dihydroxybutyl)-5-methoxybenzoic acid
CID 171881871
ethyl 3,4-dihydroxy-4-(6-methoxy-1,3-benzothiazol-2-yl)butanoate
CID 171898169
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
2-(4-chloro-1,2-dihydroxybutyl)-5-methoxybenzamide
CID 171894472
ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate
CID 171897778

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate (CID 171898282) is ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1ccc(OC)cc1C(=O)NN.
What is the InChIKey of ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate?
The InChIKey is UXXUCLLLMJQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-3-22-12(18)7-11(17)13(19)9-5-4-8(21-2)6-10(9)14(20)16-15/h4-6,11,13,17,19H,3,7,15H2,1-2H3,(H,16,20).
What are the key properties of ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate?
ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate has a molecular weight of 312.32 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate is sourced from PubChem (CID 171898282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).