(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid

C13H18N2O2 — CID 70567893

IUPAC(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C)c1N[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)11(9)15-13(12(16)17)7-4-8-14-13/h3,5-6,14-15H,4,7-8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyFMZGHBNRUJBMPF-CYBMUJFWSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds3

About (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid

(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid (PubChem CID 70567893) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid
PubChem CID70567893
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C)c1N[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)11(9)15-13(12(16)17)7-4-8-14-13/h3,5-6,14-15H,4,7-8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyFMZGHBNRUJBMPF-CYBMUJFWSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzamidopyrrolidine-2-carboxylic acid
CID 70468963
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-benzoylpyrrolidine-2-carboxylic acid
CID 70416090
(4-phenylpiperidin-4-yl) 2-(2,6-dimethylanilino)-2-oxoacetate
CID 170252392
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid (CID 70567893) is (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid is Cc1cccc(C)c1N[C@@]1(C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid?
The InChIKey is FMZGHBNRUJBMPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)11(9)15-13(12(16)17)7-4-8-14-13/h3,5-6,14-15H,4,7-8H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid?
(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70567893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).