5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid

C14H19NO4S — CID 66759426

IUPAC5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(C(=O)O)s1
InChIInChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-8-4-5-9(15)10-6-7-11(20-10)12(16)17/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyBOVWWZSFTTXBDQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.52
Rot. Bonds2

About 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid (PubChem CID 66759426) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid
PubChem CID66759426
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(C(=O)O)s1
InChIInChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-8-4-5-9(15)10-6-7-11(20-10)12(16)17/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyBOVWWZSFTTXBDQ-UHFFFAOYSA-N
XLogP3.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid (CID 66759426) is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCC1c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid?
The InChIKey is BOVWWZSFTTXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-8-4-5-9(15)10-6-7-11(20-10)12(16)17/h6-7,9H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid?
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 66759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).