2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid

C18H29NO6 — CID 91394595

IUPAC2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid
SMILESCOCCN(CCOC)C(Cc1c(OC)cc(C)cc1OC)C(=O)O
InChIInChI=1S/C18H29NO6/c1-13-10-16(24-4)14(17(11-13)25-5)12-15(18(20)21)19(6-8-22-2)7-9-23-3/h10-11,15H,6-9,12H2,1-5H3,(H,20,21)
InChIKeyIXXONKAZGMNGMC-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.60
Rot. Bonds12

About 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid

2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid (PubChem CID 91394595) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid
PubChem CID91394595
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Name2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid
SMILESCOCCN(CCOC)C(Cc1c(OC)cc(C)cc1OC)C(=O)O
InChIInChI=1S/C18H29NO6/c1-13-10-16(24-4)14(17(11-13)25-5)12-15(18(20)21)19(6-8-22-2)7-9-23-3/h10-11,15H,6-9,12H2,1-5H3,(H,20,21)
InChIKeyIXXONKAZGMNGMC-UHFFFAOYSA-N
XLogP1.60
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-ethoxyethyl)amino]-4-methoxybutanoate
CID 91533219
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 139919274
(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100554282
(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate
CID 57246423
3-(2,6-dimethoxyphenyl)-2-[methyl(2-phenylethyl)amino]propanoic acid
CID 90704143
2-(diethylamino)-3-(3,5-dimethylphenyl)propanoic acid
CID 83969909
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
(2,6-dimethoxy-4-methylphenyl) 2-bromo-3-methoxypropanoate
CID 91079302
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid (CID 91394595) is 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid is COCCN(CCOC)C(Cc1c(OC)cc(C)cc1OC)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid?
The InChIKey is IXXONKAZGMNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO6/c1-13-10-16(24-4)14(17(11-13)25-5)12-15(18(20)21)19(6-8-22-2)7-9-23-3/h10-11,15H,6-9,12H2,1-5H3,(H,20,21).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid?
2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid has a molecular weight of 355.43 g/mol, XLogP of 1.60, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 91394595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).