2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid

C11H14N2O4 — CID 62323721

IUPAC2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
SMILESCc1cccc(CNC(=O)COCC(=O)O)n1
InChIInChI=1S/C11H14N2O4/c1-8-3-2-4-9(13-8)5-12-10(14)6-17-7-11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyYIHDQQGBERRJSS-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.11
Rot. Bonds6

About 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 62323721) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID62323721
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
SMILESCc1cccc(CNC(=O)COCC(=O)O)n1
InChIInChI=1S/C11H14N2O4/c1-8-3-2-4-9(13-8)5-12-10(14)6-17-7-11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyYIHDQQGBERRJSS-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
CID 86824305
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
2-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 62306837
2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55123424
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid (CID 62323721) is 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid is Cc1cccc(CNC(=O)COCC(=O)O)n1.
What is the InChIKey of 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is YIHDQQGBERRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8-3-2-4-9(13-8)5-12-10(14)6-17-7-11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 62323721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).