(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid

C14H20N2O2 — CID 119913957

IUPAC(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCN1CCC[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)10-11-16-9-5-8-13(16)14(17)18/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyKQBPMFSVOKSWOH-CYBMUJFWSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds5

About (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119913957) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID119913957
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCN1CCC[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)10-11-16-9-5-8-13(16)14(17)18/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyKQBPMFSVOKSWOH-CYBMUJFWSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 97045106
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 11717409
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82470543
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid (CID 119913957) is (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid is CN(CCN1CCC[C@@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KQBPMFSVOKSWOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)10-11-16-9-5-8-13(16)14(17)18/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119913957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).