2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

C14H20N2O3S — CID 116684363

IUPAC2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N(C)Cc2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-10(14(18)19)11-6-16(7-11)9-13(17)15(2)8-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyDJNAAMWPEIVHFD-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (PubChem CID 116684363) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
PubChem CID116684363
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N(C)Cc2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-10(14(18)19)11-6-16(7-11)9-13(17)15(2)8-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyDJNAAMWPEIVHFD-UHFFFAOYSA-N
XLogP1.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62372272
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 114681156
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 111489412
methyl 1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60642529
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55362422
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]azetidin-3-yl]propanoic acid
CID 116681342

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (CID 116684363) is 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(CC(=O)N(C)Cc2cccs2)C1.
What is the InChIKey of 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The InChIKey is DJNAAMWPEIVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(14(18)19)11-6-16(7-11)9-13(17)15(2)8-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).