methyl 2-[diethylcarbamoyl(methyl)amino]acetate

C9H18N2O3 — CID 79161782

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 Namemethyl 2-[diethylcarbamoyl(methyl)amino]acetate
PubChem CID79161782
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 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
XLogP0.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
methyl 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]acetate
CID 61383689
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200

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).