(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid

C12H22N2O2 — CID 51980118

IUPAC(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN(C)CC[C@@H]1N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O2/c1-9-8-13(2)7-5-10(9)14-6-3-4-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m1/s1
InChIKeyIXIJYVBQCBGALI-OUAUKWLOSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds2

About (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 51980118) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID51980118
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN(C)CC[C@@H]1N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O2/c1-9-8-13(2)7-5-10(9)14-6-3-4-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m1/s1
InChIKeyIXIJYVBQCBGALI-OUAUKWLOSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
CID 124525677
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
1-(1-tert-butylazetidin-3-yl)pyrrolidine-2-carboxylic acid
CID 142538602
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 51980118) is (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid is C[C@@H]1CN(C)CC[C@@H]1N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is IXIJYVBQCBGALI-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-8-13(2)7-5-10(9)14-6-3-4-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m1/s1.
What are the key properties of (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51980118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).