4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid

C12H15NO5 — CID 139013318

IUPAC4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)co1
InChIInChI=1S/C12H15NO5/c1-8-6-9(7-18-8)10(14)13-4-2-12(17,3-5-13)11(15)16/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyYFEVIHKOPDDULQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.64
Rot. Bonds2

About 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 139013318) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID139013318
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)co1
InChIInChI=1S/C12H15NO5/c1-8-6-9(7-18-8)10(14)13-4-2-12(17,3-5-13)11(15)16/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyYFEVIHKOPDDULQ-UHFFFAOYSA-N
XLogP0.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528177
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701
4-hydroxy-1-(3-methyl-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 120687960
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid (CID 139013318) is 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)co1.
What is the InChIKey of 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is YFEVIHKOPDDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8-6-9(7-18-8)10(14)13-4-2-12(17,3-5-13)11(15)16/h6-7,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 139013318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).