propyl 2-(carbamoylamino)acetate

C6H12N2O3 — CID 86744398

IUPACpropyl 2-(carbamoylamino)acetate
SMILESCCCOC(=O)CNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-3-11-5(9)4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyPBMYIRGIWFVLIX-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.39
Rot. Bonds4

About propyl 2-(carbamoylamino)acetate

propyl 2-(carbamoylamino)acetate (PubChem CID 86744398) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is propyl 2-(carbamoylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(carbamoylamino)acetate
PubChem CID86744398
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namepropyl 2-(carbamoylamino)acetate
SMILESCCCOC(=O)CNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-3-11-5(9)4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyPBMYIRGIWFVLIX-UHFFFAOYSA-N
XLogP-0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(carbamoylamino)acetate?
The IUPAC name of propyl 2-(carbamoylamino)acetate (CID 86744398) is propyl 2-(carbamoylamino)acetate.
What is the SMILES notation for propyl 2-(carbamoylamino)acetate?
The canonical SMILES for propyl 2-(carbamoylamino)acetate is CCCOC(=O)CNC(N)=O.
What is the InChIKey of propyl 2-(carbamoylamino)acetate?
The InChIKey is PBMYIRGIWFVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-2-3-11-5(9)4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10).
What are the key properties of propyl 2-(carbamoylamino)acetate?
propyl 2-(carbamoylamino)acetate has a molecular weight of 160.17 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(carbamoylamino)acetate is sourced from PubChem (CID 86744398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).