5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid

C13H18N2O5 — CID 84755464

IUPAC5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid
SMILESNCC(=O)N1CCCC(OCc2ccc(C(=O)O)o2)C1
InChIInChI=1S/C13H18N2O5/c14-6-12(16)15-5-1-2-9(7-15)19-8-10-3-4-11(20-10)13(17)18/h3-4,9H,1-2,5-8,14H2,(H,17,18)
InChIKeyLLOTZTHVWNXMTQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.44
Rot. Bonds5

About 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid

5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid (PubChem CID 84755464) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid
PubChem CID84755464
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid
SMILESNCC(=O)N1CCCC(OCc2ccc(C(=O)O)o2)C1
InChIInChI=1S/C13H18N2O5/c14-6-12(16)15-5-1-2-9(7-15)19-8-10-3-4-11(20-10)13(17)18/h3-4,9H,1-2,5-8,14H2,(H,17,18)
InChIKeyLLOTZTHVWNXMTQ-UHFFFAOYSA-N
XLogP0.44
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578
2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 84755487
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid (CID 84755464) is 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid is NCC(=O)N1CCCC(OCc2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid?
The InChIKey is LLOTZTHVWNXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c14-6-12(16)15-5-1-2-9(7-15)19-8-10-3-4-11(20-10)13(17)18/h3-4,9H,1-2,5-8,14H2,(H,17,18).
What are the key properties of 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid?
5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 84755464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).