methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate

C12H24N2O4 — CID 173263875

IUPACmethyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
SMILESCOC(=O)C(NNC(C)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)10(12(16)17-6)14-13-9(5)11(15)18-8(3)4/h7-10,13-14H,1-6H3
InChIKeyZKWMIHDQCKURBT-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.62
Rot. Bonds7

About methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate

methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate (PubChem CID 173263875) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
PubChem CID173263875
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
SMILESCOC(=O)C(NNC(C)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)10(12(16)17-6)14-13-9(5)11(15)18-8(3)4/h7-10,13-14H,1-6H3
InChIKeyZKWMIHDQCKURBT-UHFFFAOYSA-N
XLogP0.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate
CID 18727226
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate?
The IUPAC name of methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate (CID 173263875) is methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate?
The canonical SMILES for methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate is COC(=O)C(NNC(C)C(=O)OC(C)C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate?
The InChIKey is ZKWMIHDQCKURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7(2)10(12(16)17-6)14-13-9(5)11(15)18-8(3)4/h7-10,13-14H,1-6H3.
What are the key properties of methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate?
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate has a molecular weight of 260.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate is sourced from PubChem (CID 173263875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).