(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid

C13H17NO3S — CID 75518225

IUPAC(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1ccsc1
InChIInChI=1S/C13H17NO3S/c15-12(5-4-10-6-8-18-9-10)14-7-2-1-3-11(14)13(16)17/h6,8-9,11H,1-5,7H2,(H,16,17)/t11-/m1/s1
InChIKeyHUGSHUVZEIGJAD-LLVKDONJSA-N
MW267.35 g/mol
LogP2.15
Rot. Bonds4

About (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid

(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 75518225) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID75518225
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1ccsc1
InChIInChI=1S/C13H17NO3S/c15-12(5-4-10-6-8-18-9-10)14-7-2-1-3-11(14)13(16)17/h6,8-9,11H,1-5,7H2,(H,16,17)/t11-/m1/s1
InChIKeyHUGSHUVZEIGJAD-LLVKDONJSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
(2S)-1-[3-(3-bromophenyl)propanoyl]piperidine-2-carboxylic acid
CID 66262981
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
1-[3-(3-bromophenyl)propanoyl]azepane-2-carboxylic acid
CID 64559561
(2R)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 75499802

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid (CID 75518225) is (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CCc1ccsc1.
What is the InChIKey of (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is HUGSHUVZEIGJAD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(5-4-10-6-8-18-9-10)14-7-2-1-3-11(14)13(16)17/h6,8-9,11H,1-5,7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid?
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 75518225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).