1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid

C14H20N2O3S — CID 103257817

IUPAC1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(12-3-2-8-20-12)15-9-13(17)16-6-4-11(5-7-16)14(18)19/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyZWPUVJQCSSFJEK-JTQLQIEISA-N
MW296.39 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103257817) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103257817
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(12-3-2-8-20-12)15-9-13(17)16-6-4-11(5-7-16)14(18)19/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyZWPUVJQCSSFJEK-JTQLQIEISA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103248696
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
CID 103242392
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408188

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid (CID 103257817) is 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid is C[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccs1.
What is the InChIKey of 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZWPUVJQCSSFJEK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(12-3-2-8-20-12)15-9-13(17)16-6-4-11(5-7-16)14(18)19/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103257817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).