ethyl 2-(propan-2-ylcarbamoylamino)acetate

C8H16N2O3 — CID 541544

IUPACethyl 2-(propan-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(12)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyZYUCOHVEGSDFEF-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds4

About ethyl 2-(propan-2-ylcarbamoylamino)acetate

ethyl 2-(propan-2-ylcarbamoylamino)acetate (PubChem CID 541544) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylcarbamoylamino)acetate
PubChem CID541544
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-(propan-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(12)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyZYUCOHVEGSDFEF-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(propan-2-ylcarbamoylamino)acetate (CID 541544) is ethyl 2-(propan-2-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(propan-2-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(propan-2-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NC(C)C.
What is the InChIKey of ethyl 2-(propan-2-ylcarbamoylamino)acetate?
The InChIKey is ZYUCOHVEGSDFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(12)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10,12).
What are the key properties of ethyl 2-(propan-2-ylcarbamoylamino)acetate?
ethyl 2-(propan-2-ylcarbamoylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylcarbamoylamino)acetate is sourced from PubChem (CID 541544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).