cyclopropylmethyl 2-(diethylcarbamoylamino)acetate

C11H20N2O3 — CID 71876608

IUPACcyclopropylmethyl 2-(diethylcarbamoylamino)acetate
SMILESCCN(CC)C(=O)NCC(=O)OCC1CC1
InChIInChI=1S/C11H20N2O3/c1-3-13(4-2)11(15)12-7-10(14)16-8-9-5-6-9/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyWPJLPCKAYINJLV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds6

About cyclopropylmethyl 2-(diethylcarbamoylamino)acetate

cyclopropylmethyl 2-(diethylcarbamoylamino)acetate (PubChem CID 71876608) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is cyclopropylmethyl 2-(diethylcarbamoylamino)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(diethylcarbamoylamino)acetate
PubChem CID71876608
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namecyclopropylmethyl 2-(diethylcarbamoylamino)acetate
SMILESCCN(CC)C(=O)NCC(=O)OCC1CC1
InChIInChI=1S/C11H20N2O3/c1-3-13(4-2)11(15)12-7-10(14)16-8-9-5-6-9/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyWPJLPCKAYINJLV-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
ethyl 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]acetate
CID 55226927
cyclopropylmethyl 3-oxobutanoate
CID 10012135
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298142
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
4-O-[[4-[[3-(tert-butylamino)-4-methoxy-4-oxobutanoyl]oxymethyl]cyclohexyl]methyl] 1-O-methyl 2-(tert-butylamino)butanedioate
CID 58785269
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198
1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(diethylcarbamoylamino)acetate?
The IUPAC name of cyclopropylmethyl 2-(diethylcarbamoylamino)acetate (CID 71876608) is cyclopropylmethyl 2-(diethylcarbamoylamino)acetate.
What is the SMILES notation for cyclopropylmethyl 2-(diethylcarbamoylamino)acetate?
The canonical SMILES for cyclopropylmethyl 2-(diethylcarbamoylamino)acetate is CCN(CC)C(=O)NCC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-(diethylcarbamoylamino)acetate?
The InChIKey is WPJLPCKAYINJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(4-2)11(15)12-7-10(14)16-8-9-5-6-9/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of cyclopropylmethyl 2-(diethylcarbamoylamino)acetate?
cyclopropylmethyl 2-(diethylcarbamoylamino)acetate has a molecular weight of 228.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(diethylcarbamoylamino)acetate is sourced from PubChem (CID 71876608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).