2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid

C11H16NO4+ — CID 5219059

IUPAC2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(C[NH+]2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)/p+1
InChIKeyPKBZNPNFTAYUHE-UHFFFAOYSA-O
MW226.25 g/mol
LogP-0.30
Rot. Bonds3

About 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid

2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid (PubChem CID 5219059) has the molecular formula C11H16NO4+ and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid
PubChem CID5219059
Molecular FormulaC11H16NO4+
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(C[NH+]2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)/p+1
InChIKeyPKBZNPNFTAYUHE-UHFFFAOYSA-O
XLogP-0.30
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
methyl 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 8587059
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
5-chloro-2-methylfuran-3-carboxylic acid
CID 18938015
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 62124826
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336
5-[(2,5-dioxopyrrol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 54907820
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
CID 61023796
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
2-methyl-5-(pentylsulfonylmethyl)furan-3-carboxylic acid
CID 107746590
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid (CID 5219059) is 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid is Cc1oc(C[NH+]2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid?
The InChIKey is PKBZNPNFTAYUHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)/p+1.
What are the key properties of 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid?
2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid has a molecular weight of 226.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 5219059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).