(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid

C14H19NO3S — CID 124576808

IUPAC(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19NO3S/c1-10(8-12-5-3-7-19-12)13(16)15-6-2-4-11(9-15)14(17)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyQTQRIIYCMZJNNM-WDEREUQCSA-N
MW281.38 g/mol
LogP2.25
Rot. Bonds4

About (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid

(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid (PubChem CID 124576808) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
PubChem CID124576808
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19NO3S/c1-10(8-12-5-3-7-19-12)13(16)15-6-2-4-11(9-15)14(17)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyQTQRIIYCMZJNNM-WDEREUQCSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111560882
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
(2S)-2-methyl-3-thiophen-2-yl-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776589
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167123
(3S)-1-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 119113694
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111459544

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid (CID 124576808) is (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid is C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The InChIKey is QTQRIIYCMZJNNM-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(8-12-5-3-7-19-12)13(16)15-6-2-4-11(9-15)14(17)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).