methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate

C7H13NO5 — CID 90025602

IUPACmethyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CO)CC(=O)OC
InChIInChI=1S/C7H13NO5/c1-12-6(10)3-8(5-9)4-7(11)13-2/h9H,3-5H2,1-2H3
InChIKeyFMPDVLYBTCFKCB-UHFFFAOYSA-N
MW191.18 g/mol
LogP-1.42
Rot. Bonds5

About methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 90025602) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID90025602
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Namemethyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CO)CC(=O)OC
InChIInChI=1S/C7H13NO5/c1-12-6(10)3-8(5-9)4-7(11)13-2/h9H,3-5H2,1-2H3
InChIKeyFMPDVLYBTCFKCB-UHFFFAOYSA-N
XLogP-1.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 90025602) is methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CO)CC(=O)OC.
What is the InChIKey of methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is FMPDVLYBTCFKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-12-6(10)3-8(5-9)4-7(11)13-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 191.18 g/mol, XLogP of -1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 90025602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).