5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid

C12H17NO4 — CID 62269405

IUPAC5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
SMILESCC1(C)COCCN1Cc1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO4/c1-12(2)8-16-4-3-13(12)6-10-5-9(7-17-10)11(14)15/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyZZPDEIKOKSYZTL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.59
Rot. Bonds3

About 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid

5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid (PubChem CID 62269405) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
PubChem CID62269405
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
SMILESCC1(C)COCCN1Cc1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO4/c1-12(2)8-16-4-3-13(12)6-10-5-9(7-17-10)11(14)15/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyZZPDEIKOKSYZTL-UHFFFAOYSA-N
XLogP1.59
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 106318966
5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 65301366
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
5-[(1-phenyl-2-azabicyclo[2.1.1]hexan-2-yl)methyl]furan-3-carboxylic acid
CID 146077489
5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 104609285
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707
5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-nitrobenzoic acid
CID 70955057
4-[(3,3-dimethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974238
2-amino-4-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 61429705
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 83101848
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
CID 55053671

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid (CID 62269405) is 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid is CC1(C)COCCN1Cc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The InChIKey is ZZPDEIKOKSYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2)8-16-4-3-13(12)6-10-5-9(7-17-10)11(14)15/h5,7H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).