4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

C10H13NO4S — CID 58718154

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-7(8(12)13)16-5-6/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyNFVNSZPAUPQPDZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.79
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (PubChem CID 58718154) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
PubChem CID58718154
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-7(8(12)13)16-5-6/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyNFVNSZPAUPQPDZ-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-propylthiophen-3-yl)carbamate
CID 114749418
tert-butyl N-(5-hexylthiophen-3-yl)carbamate
CID 114749403
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylic acid
CID 142617172
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
CID 174948003
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (CID 58718154) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)Nc1csc(C(=O)O)c1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The InChIKey is NFVNSZPAUPQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-7(8(12)13)16-5-6/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 58718154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).