benzyl 2-(carbamoylamino)acetate

C10H12N2O3 — CID 23499905

IUPACbenzyl 2-(carbamoylamino)acetate
SMILESNC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3/c11-10(14)12-6-9(13)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,14)
InChIKeyZTQBGVMLHBDHEH-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.40
Rot. Bonds4

About benzyl 2-(carbamoylamino)acetate

benzyl 2-(carbamoylamino)acetate (PubChem CID 23499905) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is benzyl 2-(carbamoylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(carbamoylamino)acetate
PubChem CID23499905
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namebenzyl 2-(carbamoylamino)acetate
SMILESNC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3/c11-10(14)12-6-9(13)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,14)
InChIKeyZTQBGVMLHBDHEH-UHFFFAOYSA-N
XLogP0.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(carbamoylamino)acetate?
The IUPAC name of benzyl 2-(carbamoylamino)acetate (CID 23499905) is benzyl 2-(carbamoylamino)acetate.
What is the SMILES notation for benzyl 2-(carbamoylamino)acetate?
The canonical SMILES for benzyl 2-(carbamoylamino)acetate is NC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(carbamoylamino)acetate?
The InChIKey is ZTQBGVMLHBDHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(14)12-6-9(13)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,14).
What are the key properties of benzyl 2-(carbamoylamino)acetate?
benzyl 2-(carbamoylamino)acetate has a molecular weight of 208.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(carbamoylamino)acetate is sourced from PubChem (CID 23499905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).