(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid

C11H12ClNO4 — CID 106683530

IUPAC(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1ccoc1Cl
InChIInChI=1S/C11H12ClNO4/c12-9-7(4-6-17-9)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyWWHLKIWMXQBYPK-MRVPVSSYSA-N
MW257.67 g/mol
LogP2.01
Rot. Bonds2

About (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 106683530) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID106683530
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1ccoc1Cl
InChIInChI=1S/C11H12ClNO4/c12-9-7(4-6-17-9)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyWWHLKIWMXQBYPK-MRVPVSSYSA-N
XLogP2.01
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110835122

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid (CID 106683530) is (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1ccoc1Cl.
What is the InChIKey of (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WWHLKIWMXQBYPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c12-9-7(4-6-17-9)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 257.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106683530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).