2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid

C15H21NO4 — CID 119172557

IUPAC2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,14(19)16(3)10-13(17)18)9-11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,17,18)
InChIKeyDRUBCBFLPJQNNR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds6

About 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid

2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid (PubChem CID 119172557) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid
PubChem CID119172557
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,14(19)16(3)10-13(17)18)9-11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,17,18)
InChIKeyDRUBCBFLPJQNNR-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]butanoic acid
CID 119173438
3-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228891
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid (CID 119172557) is 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid is COc1ccccc1CC(C)(C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid?
The InChIKey is DRUBCBFLPJQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,14(19)16(3)10-13(17)18)9-11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid?
2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]acetic acid is sourced from PubChem (CID 119172557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).