1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid

C11H13NO4 — CID 117003684

IUPAC1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(=O)N1Cc1ccco1
InChIInChI=1S/C11H13NO4/c13-10-5-1-4-9(11(14)15)12(10)7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,14,15)
InChIKeyAPMYWRDYJHVIRP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.25
Rot. Bonds3

About 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid

1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid (PubChem CID 117003684) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
PubChem CID117003684
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(=O)N1Cc1ccco1
InChIInChI=1S/C11H13NO4/c13-10-5-1-4-9(11(14)15)12(10)7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,14,15)
InChIKeyAPMYWRDYJHVIRP-UHFFFAOYSA-N
XLogP1.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid (CID 117003684) is 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid is O=C(O)C1CCCC(=O)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid?
The InChIKey is APMYWRDYJHVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10-5-1-4-9(11(14)15)12(10)7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,14,15).
What are the key properties of 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid?
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 117003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).