Methyl 2-[diethylcarbamoyl(methyl)amino]acetate

Name: Methyl 2-[diethylcarbamoyl(methyl)amino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₈N₂O₃ — CID 79161782

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[diethylcarbamoyl(methyl)amino]acetate

SMILESCCN(CC)C(=O)N(C)CC(=O)OC

InChIInChI=1S/C9H18N2O3/c1-5-11(6-2)9(13)10(3)7-8(12)14-4/h5-7H2,1-4H3

InChIKeyJAAMQWXKZGDCLP-UHFFFAOYSA-N

MW202.25 g/mol

LogP0.55

Rot. Bonds4

About Methyl 2-[diethylcarbamoyl(methyl)amino]acetate

Methyl 2-[diethylcarbamoyl(methyl)amino]acetate (PubChem CID 79161782) has the molecular formula C₉H₁₈N₂O₃ and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[diethylcarbamoyl(methyl)amino]acetate.

Molecular Properties

Compound Name	Methyl 2-[diethylcarbamoyl(methyl)amino]acetate
PubChem CID	79161782
Molecular Formula	C₉H₁₈N₂O₃
Molecular Weight	202.25 g/mol
Exact Mass	202.13
IUPAC Name	methyl 2-[diethylcarbamoyl(methyl)amino]acetate
SMILES	CCN(CC)C(=O)N(C)CC(=O)OC
InChI	InChI=1S/C9H18N2O3/c1-5-11(6-2)9(13)10(3)7-8(12)14-4/h5-7H2,1-4H3
InChIKey	JAAMQWXKZGDCLP-UHFFFAOYSA-N
XLogP	0.55
TPSA	49.85 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.25
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[diethylcarbamoyl(methyl)amino]acetate?

The IUPAC name of Methyl 2-[diethylcarbamoyl(methyl)amino]acetate (CID 79161782) is methyl 2-[diethylcarbamoyl(methyl)amino]acetate.

What is the SMILES notation for Methyl 2-[diethylcarbamoyl(methyl)amino]acetate?

The canonical SMILES for Methyl 2-[diethylcarbamoyl(methyl)amino]acetate is CCN(CC)C(=O)N(C)CC(=O)OC.

What is the InChIKey of Methyl 2-[diethylcarbamoyl(methyl)amino]acetate?

The InChIKey is JAAMQWXKZGDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-11(6-2)9(13)10(3)7-8(12)14-4/h5-7H2,1-4H3.

What are the key properties of Methyl 2-[diethylcarbamoyl(methyl)amino]acetate?

Methyl 2-[diethylcarbamoyl(methyl)amino]acetate has a molecular weight of 202.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[diethylcarbamoyl(methyl)amino]acetate is sourced from PubChem (CID 79161782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 79161782 — identifiers, structure, computed properties (public domain)

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