2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid

C11H14N2O4 — CID 107339238

IUPAC2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
SMILESCOC(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C11H14N2O4/c1-7(17-2)11(16)13-9-4-3-8(12-6-9)5-10(14)15/h3-4,6-7H,5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCMTQPOHLKBXIFY-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.68
Rot. Bonds5

About 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid

2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid (PubChem CID 107339238) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
PubChem CID107339238
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
SMILESCOC(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C11H14N2O4/c1-7(17-2)11(16)13-9-4-3-8(12-6-9)5-10(14)15/h3-4,6-7H,5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCMTQPOHLKBXIFY-UHFFFAOYSA-N
XLogP0.68
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-(2-aminopent-4-ynoylamino)-2-pyridinyl]acetic acid
CID 107341014
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid (CID 107339238) is 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid is COC(C)C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid?
The InChIKey is CMTQPOHLKBXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(17-2)11(16)13-9-4-3-8(12-6-9)5-10(14)15/h3-4,6-7H,5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid?
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).