(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid

C14H18N2O3 — CID 15320435

IUPAC(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-15(2)11-7-5-10(6-8-11)13(17)16-9-3-4-12(16)14(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyHPLNQNIJNHJTEZ-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds3

About (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 15320435) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID15320435
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-15(2)11-7-5-10(6-8-11)13(17)16-9-3-4-12(16)14(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyHPLNQNIJNHJTEZ-LBPRGKRZSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[methyl(propyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119366172
1-[4-(diethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355562
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
(2R)-1-[4-[butyl(ethyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119372126
[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 110744503
1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43355566
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid (CID 15320435) is (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid is CN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HPLNQNIJNHJTEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)11-7-5-10(6-8-11)13(17)16-9-3-4-12(16)14(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15320435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).