methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate

C12H15N3O4 — CID 2029766

IUPACmethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C12H15N3O4/c1-19-11(17)8-13-10(16)7-14-12(18)15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H2,14,15,18)
InChIKeyPMYIPSNJUUDLKH-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.10
Rot. Bonds5

About methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate

methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate (PubChem CID 2029766) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate
PubChem CID2029766
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C12H15N3O4/c1-19-11(17)8-13-10(16)7-14-12(18)15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H2,14,15,18)
InChIKeyPMYIPSNJUUDLKH-UHFFFAOYSA-N
XLogP0.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate (CID 2029766) is methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The InChIKey is PMYIPSNJUUDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-11(17)8-13-10(16)7-14-12(18)15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H2,14,15,18).
What are the key properties of methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate?
methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate has a molecular weight of 265.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]acetate is sourced from PubChem (CID 2029766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).