2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid

C15H18N4O4S — CID 119231009

IUPAC2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H18N4O4S/c1-9(2)13(17-14(22)10-4-3-7-24-10)15(23)16-11-5-6-19(18-11)8-12(20)21/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,20,21)(H,16,18,23)
InChIKeyXCZVMKXYQRULAS-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.42
Rot. Bonds7

About 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231009) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231009
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H18N4O4S/c1-9(2)13(17-14(22)10-4-3-7-24-10)15(23)16-11-5-6-19(18-11)8-12(20)21/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,20,21)(H,16,18,23)
InChIKeyXCZVMKXYQRULAS-UHFFFAOYSA-N
XLogP1.42
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[(2S)-3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 52524654
2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]butanoic acid
CID 119223879
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
CID 43020450
N-[3-methyl-1-[(2-methylpyrazol-3-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42958272
2-methyl-2-[4-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696404
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid (CID 119231009) is 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is XCZVMKXYQRULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-9(2)13(17-14(22)10-4-3-7-24-10)15(23)16-11-5-6-19(18-11)8-12(20)21/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,20,21)(H,16,18,23).
What are the key properties of 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 350.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).