(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

C11H16N2O4 — CID 66264258

IUPAC(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C1CCC(C(=O)N2CCCC[C@H]2C(=O)O)N1
InChIInChI=1S/C11H16N2O4/c14-9-5-4-7(12-9)10(15)13-6-2-1-3-8(13)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17)/t7?,8-/m0/s1
InChIKeyMLLIGKFMEMWKNN-MQWKRIRWSA-N
MW240.26 g/mol
LogP-0.27
Rot. Bonds2

About (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264258) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264258
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C1CCC(C(=O)N2CCCC[C@H]2C(=O)O)N1
InChIInChI=1S/C11H16N2O4/c14-9-5-4-7(12-9)10(15)13-6-2-1-3-8(13)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17)/t7?,8-/m0/s1
InChIKeyMLLIGKFMEMWKNN-MQWKRIRWSA-N
XLogP-0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (CID 66264258) is (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is O=C1CCC(C(=O)N2CCCC[C@H]2C(=O)O)N1.
What is the InChIKey of (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MLLIGKFMEMWKNN-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-5-4-7(12-9)10(15)13-6-2-1-3-8(13)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).