3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid

C18H20N2O6 — CID 119107474

IUPAC3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H20N2O6/c1-24-14-6-4-11(8-15(14)25-2)13(9-17(21)22)20-18(23)12-5-7-16(26-3)19-10-12/h4-8,10,13H,9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXSHHPVUBJZCHTQ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.05
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid

3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119107474) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID119107474
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H20N2O6/c1-24-14-6-4-11(8-15(14)25-2)13(9-17(21)22)20-18(23)12-5-7-16(26-3)19-10-12/h4-8,10,13H,9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXSHHPVUBJZCHTQ-UHFFFAOYSA-N
XLogP2.05
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
3-(3,4-dimethoxyphenyl)-3-[(1-methylbenzotriazole-5-carbonyl)amino]propanoic acid
CID 119135696
3-[(4-chloro-3-methylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 120684289
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
3-(3-methoxy-4-propoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 108797098
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 7300191
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3-(3,4-dimethoxyphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 45432925
3-[[3-(cyanomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 119135701

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid (CID 119107474) is 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid is COc1ccc(C(=O)NC(CC(=O)O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is XSHHPVUBJZCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-14-6-4-11(8-15(14)25-2)13(9-17(21)22)20-18(23)12-5-7-16(26-3)19-10-12/h4-8,10,13H,9H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid?
3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 360.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119107474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).