2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid

C11H14N2O4 — CID 82893469

IUPAC2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cc(C)nc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-7-3-9(17-2)4-8(13-7)5-10(11(15)16)12-6-14/h3-4,6,10H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBDYTZRXCRURAIP-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.14
Rot. Bonds6

About 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid

2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid (PubChem CID 82893469) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
PubChem CID82893469
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cc(C)nc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-7-3-9(17-2)4-8(13-7)5-10(11(15)16)12-6-14/h3-4,6,10H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBDYTZRXCRURAIP-UHFFFAOYSA-N
XLogP0.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 112569186
(2R)-2-acetamido-3-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]propanoic acid
CID 107774545
6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
CID 113440529
methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
CID 103492304
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
CID 82893538

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid (CID 82893469) is 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid is COc1cc(C)nc(CC(NC=O)C(=O)O)c1.
What is the InChIKey of 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The InChIKey is BDYTZRXCRURAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-3-9(17-2)4-8(13-7)5-10(11(15)16)12-6-14/h3-4,6,10H,5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 82893469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).