3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 102780280

IUPAC3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C1C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8-3-2-5-12-8/h7-9,12H,2-6H2,1H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyGCODTHLTEQBXLQ-MGURRDGZSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds2

About 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 102780280) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID102780280
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C1C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8-3-2-5-12-8/h7-9,12H,2-6H2,1H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyGCODTHLTEQBXLQ-MGURRDGZSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780201
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
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
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102781941
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 102780280) is 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)[C@@H]2CCCN2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GCODTHLTEQBXLQ-MGURRDGZSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8-3-2-5-12-8/h7-9,12H,2-6H2,1H3,(H,15,16)/t7?,8-,9?/m0/s1.
What are the key properties of 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).