2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

C14H20N2O3S — CID 106813539

IUPAC2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1cscc1C(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-10-8-20-9-12(10)14(19)16-4-2-3-11(7-16)5-15-6-13(17)18/h8-9,11,15H,2-7H2,1H3,(H,17,18)
InChIKeyDWTJDMKNMYCIFQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.58
Rot. Bonds5

About 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813539) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813539
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1cscc1C(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-10-8-20-9-12(10)14(19)16-4-2-3-11(7-16)5-15-6-13(17)18/h8-9,11,15H,2-7H2,1H3,(H,17,18)
InChIKeyDWTJDMKNMYCIFQ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
2-[[1-(4,5-dibromothiophene-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813685
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813533
[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 126794520
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (CID 106813539) is 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is Cc1cscc1C(=O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is DWTJDMKNMYCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-20-9-12(10)14(19)16-4-2-3-11(7-16)5-15-6-13(17)18/h8-9,11,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).