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

C13H17N3O4 — CID 43409770

IUPACmethyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(9-12(18)20-2)11(17)8-14-13(19)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,19)
InChIKeyRESIKTCNHJZBNO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.44
Rot. Bonds5

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

methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate (PubChem CID 43409770) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
PubChem CID43409770
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(9-12(18)20-2)11(17)8-14-13(19)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,19)
InChIKeyRESIKTCNHJZBNO-UHFFFAOYSA-N
XLogP0.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
CID 42928470
N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 143051805
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 167926693
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128188
methyl 2-[(4-chlorophenyl)methyl-[3-(phenylcarbamoylamino)propanoyl]amino]acetate
CID 55803002
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate (CID 43409770) is methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate is COC(=O)CN(C)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate?
The InChIKey is RESIKTCNHJZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(9-12(18)20-2)11(17)8-14-13(19)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,19).
What are the key properties of methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate?
methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate has a molecular weight of 279.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate is sourced from PubChem (CID 43409770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).