ethyl 2-(propylcarbamoylamino)acetate

C8H16N2O3 — CID 43385070

IUPACethyl 2-(propylcarbamoylamino)acetate
SMILESCCCNC(=O)NCC(=O)OCC
InChIInChI=1S/C8H16N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyUKMKHPWXYDDAQL-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds5

About ethyl 2-(propylcarbamoylamino)acetate

ethyl 2-(propylcarbamoylamino)acetate (PubChem CID 43385070) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-(propylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(propylcarbamoylamino)acetate
PubChem CID43385070
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-(propylcarbamoylamino)acetate
SMILESCCCNC(=O)NCC(=O)OCC
InChIInChI=1S/C8H16N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyUKMKHPWXYDDAQL-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl hydantoate
CID 222535
Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate
CID 5389733
Methyl 2-(3-isopropylureido)acetate
CID 43409327
Ethyl 2-(cyclohexylcarbamoylamino)acetate
CID 1756877
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Ethyl N'-isopropylureidoacetate
CID 541544
Ethyl 2-acetamido-2-(dimethylamino)acetate
CID 14860697
1,3-Bis-(7-carbomethoxypropyl)urea
CID 129778465
[1-[(2-Acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
CID 162417920

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(propylcarbamoylamino)acetate (CID 43385070) is ethyl 2-(propylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(propylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(propylcarbamoylamino)acetate is CCCNC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(propylcarbamoylamino)acetate?
The InChIKey is UKMKHPWXYDDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of ethyl 2-(propylcarbamoylamino)acetate?
ethyl 2-(propylcarbamoylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylcarbamoylamino)acetate is sourced from PubChem (CID 43385070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).