2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid

C15H23NO4 — CID 82315630

IUPAC2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)14(19)11-7-9(2)6-10(3)15(11)20-4/h6-7,12,14,16,19H,5,8H2,1-4H3,(H,17,18)
InChIKeyYYZSIOKITYOACG-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.80
Rot. Bonds7

About 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid

2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid (PubChem CID 82315630) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid
PubChem CID82315630
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)14(19)11-7-9(2)6-10(3)15(11)20-4/h6-7,12,14,16,19H,5,8H2,1-4H3,(H,17,18)
InChIKeyYYZSIOKITYOACG-UHFFFAOYSA-N
XLogP1.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315636
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315884
3-[[2-hydroxy-2-(2-methoxy-3,5-dimethylphenyl)ethyl]-methylamino]propanoic acid
CID 82216917
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182
2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid
CID 112514986
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid (CID 82315630) is 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid is CCC(NCC(=O)O)C(O)c1cc(C)cc(C)c1OC.
What is the InChIKey of 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid?
The InChIKey is YYZSIOKITYOACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)14(19)11-7-9(2)6-10(3)15(11)20-4/h6-7,12,14,16,19H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid?
2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid is sourced from PubChem (CID 82315630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).