2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid

C19H22N2O6 — CID 120518082

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccc(C)nc2OC)cc(OC)c1
InChIInChI=1S/C19H22N2O6/c1-12-5-6-16(18(20-12)27-4)19(24)21(11-17(22)23)10-13-7-14(25-2)9-15(8-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,23)
InChIKeyNFDGKWVRXAFXHT-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.14
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 120518082) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
PubChem CID120518082
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccc(C)nc2OC)cc(OC)c1
InChIInChI=1S/C19H22N2O6/c1-12-5-6-16(18(20-12)27-4)19(24)21(11-17(22)23)10-13-7-14(25-2)9-15(8-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,23)
InChIKeyNFDGKWVRXAFXHT-UHFFFAOYSA-N
XLogP2.14
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(3,5-dimethoxyphenyl)methyl-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119197633
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
CID 119197735
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid (CID 120518082) is 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)c2ccc(C)nc2OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is NFDGKWVRXAFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-12-5-6-16(18(20-12)27-4)19(24)21(11-17(22)23)10-13-7-14(25-2)9-15(8-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,23).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 374.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120518082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).