4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid

C14H21NO5 — CID 82348735

IUPAC4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid
SMILESCCNC(CC(=O)O)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO5/c1-4-15-11(8-13(16)17)14(18)10-7-9(19-2)5-6-12(10)20-3/h5-7,11,14-15,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyJHMGFQXXROSFEO-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.19
Rot. Bonds8

About 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid

4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid (PubChem CID 82348735) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid
PubChem CID82348735
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid
SMILESCCNC(CC(=O)O)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO5/c1-4-15-11(8-13(16)17)14(18)10-7-9(19-2)5-6-12(10)20-3/h5-7,11,14-15,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyJHMGFQXXROSFEO-UHFFFAOYSA-N
XLogP1.19
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348737
3,4-diamino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 116942774
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
4-hydroxy-4-(4-methoxy-2-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82349829
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223416
2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
CID 62226434

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid (CID 82348735) is 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid is CCNC(CC(=O)O)C(O)c1cc(OC)ccc1OC.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid?
The InChIKey is JHMGFQXXROSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-4-15-11(8-13(16)17)14(18)10-7-9(19-2)5-6-12(10)20-3/h5-7,11,14-15,18H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid?
4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 82348735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).