3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid

C13H16N2O4S — CID 43172671

IUPAC3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7(6-11(16)17)14-13(19)9-4-5-10(20-9)15-12(18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyVOFNNZQPJAVQDO-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.69
Rot. Bonds6

About 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid (PubChem CID 43172671) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
PubChem CID43172671
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7(6-11(16)17)14-13(19)9-4-5-10(20-9)15-12(18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyVOFNNZQPJAVQDO-UHFFFAOYSA-N
XLogP1.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid (CID 43172671) is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid?
The InChIKey is VOFNNZQPJAVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-7(6-11(16)17)14-13(19)9-4-5-10(20-9)15-12(18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,15,18)(H,16,17).
What are the key properties of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid?
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid has a molecular weight of 296.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43172671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).