5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid

C12H17NO3 — CID 42233591

IUPAC5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESC[C@@H]1CCCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-9-4-2-3-7-13(9)8-10-5-6-11(16-10)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyXTYBWMHGFSKJEL-SECBINFHSA-N
MW223.27 g/mol
LogP2.35
Rot. Bonds3

About 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid

5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 42233591) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID42233591
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESC[C@@H]1CCCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-9-4-2-3-7-13(9)8-10-5-6-11(16-10)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyXTYBWMHGFSKJEL-SECBINFHSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
N-[[5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55070016
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid (CID 42233591) is 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid is C[C@@H]1CCCCN1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is XTYBWMHGFSKJEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-2-3-7-13(9)8-10-5-6-11(16-10)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 42233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).