methyl 2-(3-phenylpropanoylamino)acetate

C12H15NO3 — CID 3927875

IUPACmethyl 2-(3-phenylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)9-13-11(14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyAINBXHSUDDGAAY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds5

About methyl 2-(3-phenylpropanoylamino)acetate

methyl 2-(3-phenylpropanoylamino)acetate (PubChem CID 3927875) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(3-phenylpropanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenylpropanoylamino)acetate
PubChem CID3927875
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-(3-phenylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)9-13-11(14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyAINBXHSUDDGAAY-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
CID 110670571
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 112996270
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylpropanoylamino)acetate?
The IUPAC name of methyl 2-(3-phenylpropanoylamino)acetate (CID 3927875) is methyl 2-(3-phenylpropanoylamino)acetate.
What is the SMILES notation for methyl 2-(3-phenylpropanoylamino)acetate?
The canonical SMILES for methyl 2-(3-phenylpropanoylamino)acetate is COC(=O)CNC(=O)CCc1ccccc1.
What is the InChIKey of methyl 2-(3-phenylpropanoylamino)acetate?
The InChIKey is AINBXHSUDDGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(15)9-13-11(14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of methyl 2-(3-phenylpropanoylamino)acetate?
methyl 2-(3-phenylpropanoylamino)acetate has a molecular weight of 221.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylpropanoylamino)acetate is sourced from PubChem (CID 3927875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).