2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid

C14H19NO4 — CID 112513642

IUPAC2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)CNC(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H19NO4/c1-8-9(2)13(19-4)6-5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18)
InChIKeyDGKDTLANLIBMHG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid

2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid (PubChem CID 112513642) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
PubChem CID112513642
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)CNC(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H19NO4/c1-8-9(2)13(19-4)6-5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18)
InChIKeyDGKDTLANLIBMHG-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513634
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
CID 116923616
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid (CID 112513642) is 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid is COc1ccc(C(=O)CNC(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is DGKDTLANLIBMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-9(2)13(19-4)6-5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 112513642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).