methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate

C15H21NO3 — CID 54980359

IUPACmethyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
SMILESCCC(C(=O)N(C)CCC(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-13(12-8-6-5-7-9-12)15(18)16(2)11-10-14(17)19-3/h5-9,13H,4,10-11H2,1-3H3
InChIKeyQZGCEMICUORWSP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.20
Rot. Bonds6

About methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate

methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate (PubChem CID 54980359) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
PubChem CID54980359
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
SMILESCCC(C(=O)N(C)CCC(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-13(12-8-6-5-7-9-12)15(18)16(2)11-10-14(17)19-3/h5-9,13H,4,10-11H2,1-3H3
InChIKeyQZGCEMICUORWSP-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
methyl 3-[(3-amino-2-phenyl-3-sulfanylidenepropanoyl)-methylamino]propanoate
CID 62878442
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate
CID 42697150
4-[methyl(2-phenylpentanoyl)amino]butanoic acid
CID 119172838
(2S)-4-methoxy-4-oxo-2-(2-phenylbutanoylamino)butanoic acid
CID 63307236
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
CID 52663836
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate (CID 54980359) is methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate is CCC(C(=O)N(C)CCC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate?
The InChIKey is QZGCEMICUORWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-13(12-8-6-5-7-9-12)15(18)16(2)11-10-14(17)19-3/h5-9,13H,4,10-11H2,1-3H3.
What are the key properties of methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate?
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate is sourced from PubChem (CID 54980359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).