2,3-dimethoxypropyl 2-aminoacetate

C7H15NO4 — CID 163449313

IUPAC2,3-dimethoxypropyl 2-aminoacetate
SMILESCOCC(COC(=O)CN)OC
InChIInChI=1S/C7H15NO4/c1-10-4-6(11-2)5-12-7(9)3-8/h6H,3-5,8H2,1-2H3
InChIKeyBFGHYQSGRQNLPZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.85
Rot. Bonds6

About 2,3-dimethoxypropyl 2-aminoacetate

2,3-dimethoxypropyl 2-aminoacetate (PubChem CID 163449313) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,3-dimethoxypropyl 2-aminoacetate.

Molecular Properties

Compound Name2,3-dimethoxypropyl 2-aminoacetate
PubChem CID163449313
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2,3-dimethoxypropyl 2-aminoacetate
SMILESCOCC(COC(=O)CN)OC
InChIInChI=1S/C7H15NO4/c1-10-4-6(11-2)5-12-7(9)3-8/h6H,3-5,8H2,1-2H3
InChIKeyBFGHYQSGRQNLPZ-UHFFFAOYSA-N
XLogP-0.85
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethoxypropyl 2-aminoacetate 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

2,3-dimethoxypropyl pentadecanoate
CID 528846
2,3-dimethoxypropyl 2-(4-methylphenyl)acetate
CID 166156189
2,3-dimethoxypropyl 3-aminooxysulfonyl-4-oxopentanoate
CID 58070526
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
CID 168824974
5,6-dimethoxyhexan-2-one
CID 89027763
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
(2-methoxy-3-phosphonooxypropyl) butanoate
CID 59943573
1,2,5,6-tetramethoxyhexane
CID 18679814
[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate
CID 153342480
ethane-1,2-diol;methyl 2-aminoacetate
CID 122528539
ethanol;ethyl 2-aminoacetate
CID 174720999

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropyl 2-aminoacetate?
The IUPAC name of 2,3-dimethoxypropyl 2-aminoacetate (CID 163449313) is 2,3-dimethoxypropyl 2-aminoacetate.
What is the SMILES notation for 2,3-dimethoxypropyl 2-aminoacetate?
The canonical SMILES for 2,3-dimethoxypropyl 2-aminoacetate is COCC(COC(=O)CN)OC.
What is the InChIKey of 2,3-dimethoxypropyl 2-aminoacetate?
The InChIKey is BFGHYQSGRQNLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-10-4-6(11-2)5-12-7(9)3-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 2,3-dimethoxypropyl 2-aminoacetate?
2,3-dimethoxypropyl 2-aminoacetate has a molecular weight of 177.20 g/mol, XLogP of -0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropyl 2-aminoacetate is sourced from PubChem (CID 163449313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).