[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate

C15H21NO3 — CID 90857236

IUPAC[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)14(18)12-7-5-11(6-8-12)10-19-13(17)9-16-4/h5-8,16H,9-10H2,1-4H3
InChIKeyFIUSUNAMMFGHTO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds5

About [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate

[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate (PubChem CID 90857236) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate
PubChem CID90857236
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)14(18)12-7-5-11(6-8-12)10-19-13(17)9-16-4/h5-8,16H,9-10H2,1-4H3
InChIKeyFIUSUNAMMFGHTO-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl acetate
CID 68741075
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
CID 21425486
1-[4-[2,3-bis[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]propoxymethyl]phenyl]-2,2-dimethylpropan-1-one
CID 11801925
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
benzyl 2-benzamidoacetate;ethane
CID 142836612
CID 145132515
CID 145132515
[3-[4-(2,2-dimethylpropanoyl)benzoyl]oxy-2,2-bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxymethyl]propyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10843367
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
CID 58961002

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate?
The IUPAC name of [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate (CID 90857236) is [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate.
What is the SMILES notation for [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate?
The canonical SMILES for [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate is CNCC(=O)OCc1ccc(C(=O)C(C)(C)C)cc1.
What is the InChIKey of [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate?
The InChIKey is FIUSUNAMMFGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)14(18)12-7-5-11(6-8-12)10-19-13(17)9-16-4/h5-8,16H,9-10H2,1-4H3.
What are the key properties of [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate?
[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate is sourced from PubChem (CID 90857236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).