2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid

C15H20N2O4S — CID 82033383

IUPAC2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1c(NC(=O)C2CC2)sc(C)c1C)C(=O)O
InChIInChI=1S/C15H20N2O4S/c1-4-10(15(20)21)16-13(19)11-7(2)8(3)22-14(11)17-12(18)9-5-6-9/h9-10H,4-6H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyNKRBGWPAMKLWHS-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.31
Rot. Bonds6

About 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid

2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid (PubChem CID 82033383) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid
PubChem CID82033383
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1c(NC(=O)C2CC2)sc(C)c1C)C(=O)O
InChIInChI=1S/C15H20N2O4S/c1-4-10(15(20)21)16-13(19)11-7(2)8(3)22-14(11)17-12(18)9-5-6-9/h9-10H,4-6H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyNKRBGWPAMKLWHS-UHFFFAOYSA-N
XLogP2.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 7128933
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 9490875
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17063366
N-[3-(3-hydroxyazetidine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
CID 71915949
3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033355
N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
CID 68904531
4,5-dimethyl-2-(2-methylpentan-3-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114188
methyl 4,5-dimethyl-2-(oxane-4-carbonylamino)thiophene-3-carboxylate
CID 31965251
2-(3-ethylpentan-2-ylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63836800
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 17421417
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 17423220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid (CID 82033383) is 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid is CCC(NC(=O)c1c(NC(=O)C2CC2)sc(C)c1C)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid?
The InChIKey is NKRBGWPAMKLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-4-10(15(20)21)16-13(19)11-7(2)8(3)22-14(11)17-12(18)9-5-6-9/h9-10H,4-6H2,1-3H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid?
2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid has a molecular weight of 324.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 82033383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).