1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C13H17NO5 — CID 119251953

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)o1
InChIInChI=1S/C13H17NO5/c1-8-7-10(9(2)19-8)11(15)14-5-3-13(18,4-6-14)12(16)17/h7,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyZURXVZHEEKBFBD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.95
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251953) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251953
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)o1
InChIInChI=1S/C13H17NO5/c1-8-7-10(9(2)19-8)11(15)14-5-3-13(18,4-6-14)12(16)17/h7,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyZURXVZHEEKBFBD-UHFFFAOYSA-N
XLogP0.95
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56908031
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
(3S)-8-(2,5-dimethylfuran-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874960
8-(2,5-dimethylfuran-3-carbonyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076498
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251953) is 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is ZURXVZHEEKBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-7-10(9(2)19-8)11(15)14-5-3-13(18,4-6-14)12(16)17/h7,18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).