(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 103869598

IUPAC(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8-4-5-13-9(7-8)11(15)14-6-2-3-10(14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyDYEUVVOSZMAHLU-UDNWOFFPSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds2

About (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 103869598) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID103869598
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8-4-5-13-9(7-8)11(15)14-6-2-3-10(14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyDYEUVVOSZMAHLU-UDNWOFFPSA-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

methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
ethyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423535
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 103869598) is (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCNC(C(=O)N2CCC[C@@H]2C(=O)O)C1.
What is the InChIKey of (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DYEUVVOSZMAHLU-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-4-5-13-9(7-8)11(15)14-6-2-3-10(14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-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-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103869598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).