1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid

C19H21NO6 — CID 2956190

IUPAC1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c(C)o2)cc1OC
InChIInChI=1S/C19H21NO6/c1-11-13(18(21)20-8-4-5-14(20)19(22)23)10-16(26-11)12-6-7-15(24-2)17(9-12)25-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPAFBZCCPXRQOJW-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.96
Rot. Bonds5

About 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 2956190) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID2956190
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c(C)o2)cc1OC
InChIInChI=1S/C19H21NO6/c1-11-13(18(21)20-8-4-5-14(20)19(22)23)10-16(26-11)12-6-7-15(24-2)17(9-12)25-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPAFBZCCPXRQOJW-UHFFFAOYSA-N
XLogP2.96
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 2956190) is 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid is COc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c(C)o2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PAFBZCCPXRQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-13(18(21)20-8-4-5-14(20)19(22)23)10-16(26-11)12-6-7-15(24-2)17(9-12)25-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,22,23).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2956190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).