methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate

C12H16N2O4 — CID 139705829

IUPACmethyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)Cc1ccccc1CO
InChIInChI=1S/C12H16N2O4/c1-18-12(17)7-13-14-11(16)6-9-4-2-3-5-10(9)8-15/h2-5,13,15H,6-8H2,1H3,(H,14,16)
InChIKeyJBNUYTQEOKXWOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.48
Rot. Bonds6

About methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate

methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate (PubChem CID 139705829) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate
PubChem CID139705829
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)Cc1ccccc1CO
InChIInChI=1S/C12H16N2O4/c1-18-12(17)7-13-14-11(16)6-9-4-2-3-5-10(9)8-15/h2-5,13,15H,6-8H2,1H3,(H,14,16)
InChIKeyJBNUYTQEOKXWOD-UHFFFAOYSA-N
XLogP-0.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
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CID 110924335
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
methyl 2-[2-(2-oxopropyl)phenyl]acetate
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methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
3-[2-(hydroxymethyl)anilino]-5-methoxy-5-oxopentanoic acid
CID 174393420
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
methyl 2-[2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenyl]acetate
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methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate?
The IUPAC name of methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate (CID 139705829) is methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate?
The canonical SMILES for methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate is COC(=O)CNNC(=O)Cc1ccccc1CO.
What is the InChIKey of methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate?
The InChIKey is JBNUYTQEOKXWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-12(17)7-13-14-11(16)6-9-4-2-3-5-10(9)8-15/h2-5,13,15H,6-8H2,1H3,(H,14,16).
What are the key properties of methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate?
methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate has a molecular weight of 252.27 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate is sourced from PubChem (CID 139705829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).