methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate

C16H23NO3 — CID 62388212

IUPACmethyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1cccc(C)c1)C(=O)OC
InChIInChI=1S/C16H23NO3/c1-5-9-16(3,15(19)20-4)17-14(18)11-13-8-6-7-12(2)10-13/h6-8,10H,5,9,11H2,1-4H3,(H,17,18)
InChIKeyRUJQSZXGOKGSBG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.39
Rot. Bonds6

About methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate (PubChem CID 62388212) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
PubChem CID62388212
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1cccc(C)c1)C(=O)OC
InChIInChI=1S/C16H23NO3/c1-5-9-16(3,15(19)20-4)17-14(18)11-13-8-6-7-12(2)10-13/h6-8,10H,5,9,11H2,1-4H3,(H,17,18)
InChIKeyRUJQSZXGOKGSBG-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
1-chloro-3-methylbenzene;methyl 2-acetamido-2-methylpentanoate
CID 174325893
2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
methyl 2-methyl-2-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]pentanoate
CID 60560566
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232
2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 61205187
methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate
CID 43623892

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate (CID 62388212) is methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cc1cccc(C)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate?
The InChIKey is RUJQSZXGOKGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-9-16(3,15(19)20-4)17-14(18)11-13-8-6-7-12(2)10-13/h6-8,10H,5,9,11H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate has a molecular weight of 277.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate is sourced from PubChem (CID 62388212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).