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

C13H16N2O4 — CID 23345289

IUPACmethyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-15-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyKTRGUYUWILCFQM-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.37
Rot. Bonds6

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

methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (PubChem CID 23345289) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
PubChem CID23345289
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-15-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyKTRGUYUWILCFQM-UHFFFAOYSA-N
XLogP-0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
CID 172801156
CID 172801156
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (CID 23345289) is methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The InChIKey is KTRGUYUWILCFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)9-15-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate has a molecular weight of 264.28 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 23345289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).