methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate

C13H17NO4 — CID 146267206

IUPACmethyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate
SMILESCOC(=O)C(COC=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO4/c1-14(8-11-6-4-3-5-7-11)12(9-18-10-15)13(16)17-2/h3-7,10,12H,8-9H2,1-2H3
InChIKeyQZRSJHGRQDZMQK-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.83
Rot. Bonds7

About methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate

methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate (PubChem CID 146267206) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate
PubChem CID146267206
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate
SMILESCOC(=O)C(COC=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO4/c1-14(8-11-6-4-3-5-7-11)12(9-18-10-15)13(16)17-2/h3-7,10,12H,8-9H2,1-2H3
InChIKeyQZRSJHGRQDZMQK-UHFFFAOYSA-N
XLogP0.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate 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 (2R)-2-[benzyl(methyl)amino]-3-hydroxypropanoate
CID 121010319
methyl (2S)-2-[benzyl(methyl)amino]-4-methylsulfanylbutanoate
CID 51340336
[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate
CID 146267247
methyl 2-[benzyl(methyl)amino]-3-(methylamino)-3-oxopropanoate
CID 71268170
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513
methyl (2S)-2-(dibenzylamino)-3-phenylmethoxypropanoate
CID 15549566
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
(2S)-4-amino-2-[benzyl(methyl)amino]-4-oxobutanoic acid;dimethyl benzene-1,2-dicarboxylate
CID 160597698
methyl (2S)-3-(dibenzylamino)-2-[methyl(prop-2-ynyl)amino]propanoate
CID 102185593

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate?
The IUPAC name of methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate (CID 146267206) is methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate.
What is the SMILES notation for methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate?
The canonical SMILES for methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate is COC(=O)C(COC=O)N(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate?
The InChIKey is QZRSJHGRQDZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(8-11-6-4-3-5-7-11)12(9-18-10-15)13(16)17-2/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate?
methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate has a molecular weight of 251.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate is sourced from PubChem (CID 146267206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).