[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate

C9H16N2O5 — CID 139935856

IUPAC[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNNC(=O)OC
InChIInChI=1S/C9H16N2O5/c1-6(2)8(13)16-5-7(12)4-10-11-9(14)15-3/h7,10,12H,1,4-5H2,2-3H3,(H,11,14)
InChIKeyPGTLXSGANMHEGS-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.67
Rot. Bonds6

About [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate

[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate (PubChem CID 139935856) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
PubChem CID139935856
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNNC(=O)OC
InChIInChI=1S/C9H16N2O5/c1-6(2)8(13)16-5-7(12)4-10-11-9(14)15-3/h7,10,12H,1,4-5H2,2-3H3,(H,11,14)
InChIKeyPGTLXSGANMHEGS-UHFFFAOYSA-N
XLogP-0.67
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
(Z)-2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-3-methylbut-2-enedioic acid
CID 88804644
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate
CID 134373212
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate (CID 139935856) is [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CNNC(=O)OC.
What is the InChIKey of [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate?
The InChIKey is PGTLXSGANMHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(2)8(13)16-5-7(12)4-10-11-9(14)15-3/h7,10,12H,1,4-5H2,2-3H3,(H,11,14).
What are the key properties of [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate has a molecular weight of 232.24 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139935856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).