(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid

C12H20N2O3 — CID 81134943

IUPAC(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-11(9-4-3-6-13-8-9)14-7-2-1-5-10(14)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyXWPYIWJJDMQHQO-NXEZZACHSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds2

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

(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 81134943) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID81134943
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-11(9-4-3-6-13-8-9)14-7-2-1-5-10(14)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyXWPYIWJJDMQHQO-NXEZZACHSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
(2S,4S)-4-hydroxy-1-[(3R)-piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 81134398
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129371138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid (CID 81134943) is (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is XWPYIWJJDMQHQO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(9-4-3-6-13-8-9)14-7-2-1-5-10(14)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 81134943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).