ethane-1,2-diol;methyl 2-aminoacetate

C5H13NO4 — CID 122528539

IUPACethane-1,2-diol;methyl 2-aminoacetate
SMILESCOC(=O)CN.OCCO
InChIInChI=1S/C3H7NO2.C2H6O2/c1-6-3(5)2-4;3-1-2-4/h2,4H2,1H3;3-4H,1-2H2
InChIKeyVJJRWJMOJUSABO-UHFFFAOYSA-N
MW151.16 g/mol
LogP-1.91
Rot. Bonds2

About ethane-1,2-diol;methyl 2-aminoacetate

ethane-1,2-diol;methyl 2-aminoacetate (PubChem CID 122528539) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is ethane-1,2-diol;methyl 2-aminoacetate.

Molecular Properties

Compound Nameethane-1,2-diol;methyl 2-aminoacetate
PubChem CID122528539
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Nameethane-1,2-diol;methyl 2-aminoacetate
SMILESCOC(=O)CN.OCCO
InChIInChI=1S/C3H7NO2.C2H6O2/c1-6-3(5)2-4;3-1-2-4/h2,4H2,1H3;3-4H,1-2H2
InChIKeyVJJRWJMOJUSABO-UHFFFAOYSA-N
XLogP-1.91
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride
CID 158378476
potassium;hydride;methyl 2-aminoacetate
CID 175381316
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
CID 175513971
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
methyl 2-aminoacetate;methyl carbamodithioate
CID 175268095
methane;methyl 3-hydroxypropanoate
CID 165023436
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
ethane-1,2-diol;methyl propanoate;phosphenous acid
CID 175114705
methyl 2-aminoacetate;propane-1,2-diimine
CID 145275469
ethanol;ethyl 2-aminoacetate
CID 174720999

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methyl 2-aminoacetate?
The IUPAC name of ethane-1,2-diol;methyl 2-aminoacetate (CID 122528539) is ethane-1,2-diol;methyl 2-aminoacetate.
What is the SMILES notation for ethane-1,2-diol;methyl 2-aminoacetate?
The canonical SMILES for ethane-1,2-diol;methyl 2-aminoacetate is COC(=O)CN.OCCO.
What is the InChIKey of ethane-1,2-diol;methyl 2-aminoacetate?
The InChIKey is VJJRWJMOJUSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H6O2/c1-6-3(5)2-4;3-1-2-4/h2,4H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methyl 2-aminoacetate?
ethane-1,2-diol;methyl 2-aminoacetate has a molecular weight of 151.16 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methyl 2-aminoacetate is sourced from PubChem (CID 122528539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).