2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid

C12H16N2O5 — CID 103173065

IUPAC2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccnc(CC(NC(C)=O)C(=O)O)c1OC
InChIInChI=1S/C12H16N2O5/c1-7(15)14-9(12(16)17)6-8-11(19-3)10(18-2)4-5-13-8/h4-5,9H,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKGKMQQGQERXGKD-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.23
Rot. Bonds6

About 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid

2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid (PubChem CID 103173065) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid
PubChem CID103173065
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccnc(CC(NC(C)=O)C(=O)O)c1OC
InChIInChI=1S/C12H16N2O5/c1-7(15)14-9(12(16)17)6-8-11(19-3)10(18-2)4-5-13-8/h4-5,9H,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKGKMQQGQERXGKD-UHFFFAOYSA-N
XLogP0.23
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]propanoic acid
CID 107774788
2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]propanoic acid
CID 103173703
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 54846837
(2S)-2-acetamido-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 57012608
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfonyl]butanoic acid
CID 103172931
methyl 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-2-methylpropanoate
CID 103172037
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
(2R)-2-acetamido-3-(4-fluoro-3-methoxyphenyl)propanoic acid
CID 54204153
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid (CID 103173065) is 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid is COc1ccnc(CC(NC(C)=O)C(=O)O)c1OC.
What is the InChIKey of 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid?
The InChIKey is KGKMQQGQERXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(15)14-9(12(16)17)6-8-11(19-3)10(18-2)4-5-13-8/h4-5,9H,6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid?
2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 103173065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).