1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H15NO3S — CID 81362670

IUPAC1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NCC2(C(=O)O)CCC2)s1
InChIInChI=1S/C12H15NO3S/c1-8-3-4-9(17-8)10(14)13-7-12(11(15)16)5-2-6-12/h3-4H,2,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyMQSUKYLPEMCTGT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.04
Rot. Bonds4

About 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362670) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362670
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NCC2(C(=O)O)CCC2)s1
InChIInChI=1S/C12H15NO3S/c1-8-3-4-9(17-8)10(14)13-7-12(11(15)16)5-2-6-12/h3-4H,2,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyMQSUKYLPEMCTGT-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
CID 18139468
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543166
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
4-[[[2-(5-methylthiophen-2-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542368
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81362670) is 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is Cc1ccc(C(=O)NCC2(C(=O)O)CCC2)s1.
What is the InChIKey of 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is MQSUKYLPEMCTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-3-4-9(17-8)10(14)13-7-12(11(15)16)5-2-6-12/h3-4H,2,5-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).