3-(morpholin-4-ylmethyl)furan-2-carboxylic acid

C10H13NO4 — CID 43153189

IUPAC3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCOCC1
InChIInChI=1S/C10H13NO4/c12-10(13)9-8(1-4-15-9)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyIJGUOJDGPJJXLI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.81
Rot. Bonds3

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

3-(morpholin-4-ylmethyl)furan-2-carboxylic acid (PubChem CID 43153189) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
PubChem CID43153189
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCOCC1
InChIInChI=1S/C10H13NO4/c12-10(13)9-8(1-4-15-9)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyIJGUOJDGPJJXLI-UHFFFAOYSA-N
XLogP0.81
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153219
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103356684
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167982801
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43447565
3-[[(3aR,9aS)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]methyl]furan-2-carboxylic acid
CID 167963621
CID 131887032
CID 131887032
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid (CID 43153189) is 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid is O=C(O)c1occc1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The InChIKey is IJGUOJDGPJJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-10(13)9-8(1-4-15-9)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13).
What are the key properties of 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).