ethyl 2-(diethylcarbamoylamino)acetate

C9H18N2O3 — CID 43385178

IUPACethyl 2-(diethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)N(CC)CC
InChIInChI=1S/C9H18N2O3/c1-4-11(5-2)9(13)10-7-8(12)14-6-3/h4-7H2,1-3H3,(H,10,13)
InChIKeyJXGFDZUWRRSXTR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-(diethylcarbamoylamino)acetate

ethyl 2-(diethylcarbamoylamino)acetate (PubChem CID 43385178) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(diethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(diethylcarbamoylamino)acetate
PubChem CID43385178
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-(diethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)N(CC)CC
InChIInChI=1S/C9H18N2O3/c1-4-11(5-2)9(13)10-7-8(12)14-6-3/h4-7H2,1-3H3,(H,10,13)
InChIKeyJXGFDZUWRRSXTR-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]acetate
CID 55226927
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
cyclopropylmethyl 2-(diethylcarbamoylamino)acetate
CID 71876608
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
CID 54948885
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(diethylcarbamoylamino)acetate (CID 43385178) is ethyl 2-(diethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(diethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(diethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylcarbamoylamino)acetate?
The InChIKey is JXGFDZUWRRSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-11(5-2)9(13)10-7-8(12)14-6-3/h4-7H2,1-3H3,(H,10,13).
What are the key properties of ethyl 2-(diethylcarbamoylamino)acetate?
ethyl 2-(diethylcarbamoylamino)acetate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylcarbamoylamino)acetate is sourced from PubChem (CID 43385178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).