(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid

C13H16BrNO3S — CID 129382499

IUPAC(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO3S/c1-8(10-4-5-11(14)19-10)12(16)15-6-2-3-9(7-15)13(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyRHGOQAFQGKXKAY-DTWKUNHWSA-N
MW346.25 g/mol
LogP2.94
Rot. Bonds3

About (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 129382499) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID129382499
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC Name(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO3S/c1-8(10-4-5-11(14)19-10)12(16)15-6-2-3-9(7-15)13(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyRHGOQAFQGKXKAY-DTWKUNHWSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689976
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
4-[2-(5-bromothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239784
(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111470100
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
1-[(5-bromothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4287184
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
1-[(5-bromothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid
CID 3915873
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-[(5-bromothiophen-2-yl)-(2-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5031214

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid (CID 129382499) is (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid is C[C@H](C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(Br)s1.
What is the InChIKey of (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is RHGOQAFQGKXKAY-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c1-8(10-4-5-11(14)19-10)12(16)15-6-2-3-9(7-15)13(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1.
What are the key properties of (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 346.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129382499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).