4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid

C11H16N2O2S — CID 87627556

IUPAC4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid
SMILESCc1ccsc1C1CN(C(=O)O)CCC1N
InChIInChI=1S/C11H16N2O2S/c1-7-3-5-16-10(7)8-6-13(11(14)15)4-2-9(8)12/h3,5,8-9H,2,4,6,12H2,1H3,(H,14,15)
InChIKeyKKEIPIRSDBZLOV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.85
Rot. Bonds1

About 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid

4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid (PubChem CID 87627556) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid
PubChem CID87627556
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid
SMILESCc1ccsc1C1CN(C(=O)O)CCC1N
InChIInChI=1S/C11H16N2O2S/c1-7-3-5-16-10(7)8-6-13(11(14)15)4-2-9(8)12/h3,5,8-9H,2,4,6,12H2,1H3,(H,14,15)
InChIKeyKKEIPIRSDBZLOV-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid (CID 87627556) is 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid is Cc1ccsc1C1CN(C(=O)O)CCC1N.
What is the InChIKey of 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid?
The InChIKey is KKEIPIRSDBZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-3-5-16-10(7)8-6-13(11(14)15)4-2-9(8)12/h3,5,8-9H,2,4,6,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid?
4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87627556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).