2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid

C15H23NO4 — CID 82315884

IUPAC2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)15(19)14-9(2)6-11(20-4)7-10(14)3/h6-7,12,15-16,19H,5,8H2,1-4H3,(H,17,18)
InChIKeyHCMKENXPVKRHAR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.80
Rot. Bonds7

About 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid

2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid (PubChem CID 82315884) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
PubChem CID82315884
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)15(19)14-9(2)6-11(20-4)7-10(14)3/h6-7,12,15-16,19H,5,8H2,1-4H3,(H,17,18)
InChIKeyHCMKENXPVKRHAR-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-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315630
2-(ethylamino)-1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82315899
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
CID 82315876
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 82314956
3-(butan-2-ylamino)-4-(4-methoxy-2,6-dimethylphenyl)butanoic acid
CID 82350952
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid (CID 82315884) is 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid is CCC(NCC(=O)O)C(O)c1c(C)cc(OC)cc1C.
What is the InChIKey of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid?
The InChIKey is HCMKENXPVKRHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-12(16-8-13(17)18)15(19)14-9(2)6-11(20-4)7-10(14)3/h6-7,12,15-16,19H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid?
2-[[1-hydroxy-1-(4-methoxy-2,6-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-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid is sourced from PubChem (CID 82315884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).