ethyl 2-(methylamino)acetate;hydron;chloride

C5H12ClNO2 — CID 74764550

IUPACethyl 2-(methylamino)acetate;hydron;chloride
SMILESCCOC(=O)CNC.[Cl-].[H+]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKeyNIDZUMSLERGAON-UHFFFAOYSA-N
MW153.61 g/mol
LogP-3.11
Rot. Bonds3

About ethyl 2-(methylamino)acetate;hydron;chloride

ethyl 2-(methylamino)acetate;hydron;chloride (PubChem CID 74764550) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is ethyl 2-(methylamino)acetate;hydron;chloride.

Molecular Properties

Compound Nameethyl 2-(methylamino)acetate;hydron;chloride
PubChem CID74764550
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Nameethyl 2-(methylamino)acetate;hydron;chloride
SMILESCCOC(=O)CNC.[Cl-].[H+]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKeyNIDZUMSLERGAON-UHFFFAOYSA-N
XLogP-3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)acetate;hydron;chloride?
The IUPAC name of ethyl 2-(methylamino)acetate;hydron;chloride (CID 74764550) is ethyl 2-(methylamino)acetate;hydron;chloride.
What is the SMILES notation for ethyl 2-(methylamino)acetate;hydron;chloride?
The canonical SMILES for ethyl 2-(methylamino)acetate;hydron;chloride is CCOC(=O)CNC.[Cl-].[H+].
What is the InChIKey of ethyl 2-(methylamino)acetate;hydron;chloride?
The InChIKey is NIDZUMSLERGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H.
What are the key properties of ethyl 2-(methylamino)acetate;hydron;chloride?
ethyl 2-(methylamino)acetate;hydron;chloride has a molecular weight of 153.61 g/mol, XLogP of -3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)acetate;hydron;chloride is sourced from PubChem (CID 74764550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).