(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 66264234

IUPAC(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
SMILESNCCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c16-9-8-11-4-6-12(7-5-11)14(18)17-10-2-1-3-13(17)15(19)20/h4-7,13H,1-3,8-10,16H2,(H,19,20)/t13-/m0/s1
InChIKeyYJTCZEGQPDATEJ-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.27
Rot. Bonds4

About (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid

(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 66264234) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID66264234
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
SMILESNCCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c16-9-8-11-4-6-12(7-5-11)14(18)17-10-2-1-3-13(17)15(19)20/h4-7,13H,1-3,8-10,16H2,(H,19,20)/t13-/m0/s1
InChIKeyYJTCZEGQPDATEJ-ZDUSSCGKSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 79034919
(2R)-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78922083
(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
CID 81120282
1-[4-(methylsulfonylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43239530
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid (CID 66264234) is (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid is NCCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is YJTCZEGQPDATEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-8-11-4-6-12(7-5-11)14(18)17-10-2-1-3-13(17)15(19)20/h4-7,13H,1-3,8-10,16H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).