2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid

C16H16N2O5 — CID 139479710

IUPAC2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
SMILESCOc1cc(CC(N)=O)ccc1Oc1ccc(CC(=O)O)cn1
InChIInChI=1S/C16H16N2O5/c1-22-13-6-10(7-14(17)19)2-4-12(13)23-15-5-3-11(9-18-15)8-16(20)21/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,20,21)
InChIKeyCQKSISKFGQHAQY-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.54
Rot. Bonds7

About 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid

2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid (PubChem CID 139479710) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
PubChem CID139479710
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
SMILESCOc1cc(CC(N)=O)ccc1Oc1ccc(CC(=O)O)cn1
InChIInChI=1S/C16H16N2O5/c1-22-13-6-10(7-14(17)19)2-4-12(13)23-15-5-3-11(9-18-15)8-16(20)21/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,20,21)
InChIKeyCQKSISKFGQHAQY-UHFFFAOYSA-N
XLogP1.54
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 139479360
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 87561327
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid (CID 139479710) is 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid is COc1cc(CC(N)=O)ccc1Oc1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid?
The InChIKey is CQKSISKFGQHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-13-6-10(7-14(17)19)2-4-12(13)23-15-5-3-11(9-18-15)8-16(20)21/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid?
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid has a molecular weight of 316.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid is sourced from PubChem (CID 139479710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).