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

C15H20N2O3 — CID 79034919

IUPAC(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
SMILESNCCc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H20N2O3/c16-9-8-11-5-1-2-6-12(11)14(18)17-10-4-3-7-13(17)15(19)20/h1-2,5-6,13H,3-4,7-10,16H2,(H,19,20)/t13-/m1/s1
InChIKeyBEWGZIYYDVQPQM-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.27
Rot. Bonds4

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

(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 79034919) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID79034919
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
SMILESNCCc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H20N2O3/c16-9-8-11-5-1-2-6-12(11)14(18)17-10-4-3-7-13(17)15(19)20/h1-2,5-6,13H,3-4,7-10,16H2,(H,19,20)/t13-/m1/s1
InChIKeyBEWGZIYYDVQPQM-CYBMUJFWSA-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

1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810
1-(2-sulfanylbenzoyl)piperidine-2-carboxylic acid
CID 10422982
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-[2-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 82179126
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234
1-[2-[[2-(2-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-2-carboxylic acid
CID 10346856
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 43355997
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 103871055
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid (CID 79034919) is (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid is NCCc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is BEWGZIYYDVQPQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-8-11-5-1-2-6-12(11)14(18)17-10-4-3-7-13(17)15(19)20/h1-2,5-6,13H,3-4,7-10,16H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(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 (2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).