2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid

C11H17NO5 — CID 114408134

IUPAC2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOCC1=CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C11H17NO5/c1-16-6-9-2-4-12(5-3-9)10(13)7-17-8-11(14)15/h2H,3-8H2,1H3,(H,14,15)
InChIKeyNZVNWEGDTGHXSM-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.11
Rot. Bonds6

About 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 114408134) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID114408134
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOCC1=CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C11H17NO5/c1-16-6-9-2-4-12(5-3-9)10(13)7-17-8-11(14)15/h2H,3-8H2,1H3,(H,14,15)
InChIKeyNZVNWEGDTGHXSM-UHFFFAOYSA-N
XLogP-0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114409715
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036253
6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one
CID 114409615
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetic acid
CID 114408395

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid (CID 114408134) is 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid is COCC1=CCN(C(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is NZVNWEGDTGHXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-16-6-9-2-4-12(5-3-9)10(13)7-17-8-11(14)15/h2H,3-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 114408134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).