2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid

C14H19NO4S — CID 115284165

IUPAC2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
SMILESCC1OC(C)C(C(=O)NC(C(=O)O)c2cccs2)C1C
InChIInChI=1S/C14H19NO4S/c1-7-8(2)19-9(3)11(7)13(16)15-12(14(17)18)10-5-4-6-20-10/h4-9,11-12H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQLZDLAMNDCJKLQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.05
Rot. Bonds4

About 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid

2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid (PubChem CID 115284165) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
PubChem CID115284165
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
SMILESCC1OC(C)C(C(=O)NC(C(=O)O)c2cccs2)C1C
InChIInChI=1S/C14H19NO4S/c1-7-8(2)19-9(3)11(7)13(16)15-12(14(17)18)10-5-4-6-20-10/h4-9,11-12H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQLZDLAMNDCJKLQ-UHFFFAOYSA-N
XLogP2.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284722
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid (CID 115284165) is 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid is CC1OC(C)C(C(=O)NC(C(=O)O)c2cccs2)C1C.
What is the InChIKey of 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The InChIKey is QLZDLAMNDCJKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-7-8(2)19-9(3)11(7)13(16)15-12(14(17)18)10-5-4-6-20-10/h4-9,11-12H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 115284165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).