2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid

C18H17NO7 — CID 97046144

IUPAC2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
SMILESCOc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OCC(=O)O
InChIInChI=1S/C18H17NO7/c1-9-5-14-17(18(23)19-9)11(7-16(22)26-14)10-3-4-12(13(6-10)24-2)25-8-15(20)21/h3-6,11H,7-8H2,1-2H3,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyRSSHIOUDBZDNNB-NSHDSACASA-N
MW359.33 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid

2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid (PubChem CID 97046144) has the molecular formula C18H17NO7 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
PubChem CID97046144
Molecular FormulaC18H17NO7
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
SMILESCOc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OCC(=O)O
InChIInChI=1S/C18H17NO7/c1-9-5-14-17(18(23)19-9)11(7-16(22)26-14)10-3-4-12(13(6-10)24-2)25-8-15(20)21/h3-6,11H,7-8H2,1-2H3,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyRSSHIOUDBZDNNB-NSHDSACASA-N
XLogP1.60
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754610
4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97265482
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
2-[4-[(4S)-2,5-dioxo-3,4-dihydropyrano[3,2-c]chromen-4-yl]-2-methoxyphenoxy]acetic acid
CID 99996426
2-[4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 91637040
(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045790
2-[[4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 20993736
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71826674
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
2-[4-[(10R)-3-(4-fluorophenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 124879709
2-[[4-(3-methoxy-4-propoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 22686076

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid (CID 97046144) is 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid is COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid?
The InChIKey is RSSHIOUDBZDNNB-NSHDSACASA-N. The full InChI is InChI=1S/C18H17NO7/c1-9-5-14-17(18(23)19-9)11(7-16(22)26-14)10-3-4-12(13(6-10)24-2)25-8-15(20)21/h3-6,11H,7-8H2,1-2H3,(H,19,23)(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid?
2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid has a molecular weight of 359.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 97046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).