5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

C13H16N2O4S — CID 60978074

IUPAC5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESNC(=O)CC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C13H16N2O4S/c14-11(16)7-8-3-5-15(6-4-8)12(17)9-1-2-10(20-9)13(18)19/h1-2,8H,3-7H2,(H2,14,16)(H,18,19)
InChIKeyRACKJVFZGPUNMV-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.17
Rot. Bonds4

About 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 60978074) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID60978074
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESNC(=O)CC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C13H16N2O4S/c14-11(16)7-8-3-5-15(6-4-8)12(17)9-1-2-10(20-9)13(18)19/h1-2,8H,3-7H2,(H2,14,16)(H,18,19)
InChIKeyRACKJVFZGPUNMV-UHFFFAOYSA-N
XLogP1.17
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (CID 60978074) is 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is NC(=O)CC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is RACKJVFZGPUNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-11(16)7-8-3-5-15(6-4-8)12(17)9-1-2-10(20-9)13(18)19/h1-2,8H,3-7H2,(H2,14,16)(H,18,19).
What are the key properties of 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60978074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).