4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid

C13H16N2O5S — CID 107832422

IUPAC4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O5S/c16-8(13(19)20)5-6-14-12(18)9-3-4-10(21-9)15-11(17)7-1-2-7/h3-4,7-8,16H,1-2,5-6H2,(H,14,18)(H,15,17)(H,19,20)
InChIKeySKISANYUQGFCOG-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.66
Rot. Bonds7

About 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid

4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107832422) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107832422
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O5S/c16-8(13(19)20)5-6-14-12(18)9-3-4-10(21-9)15-11(17)7-1-2-7/h3-4,7-8,16H,1-2,5-6H2,(H,14,18)(H,15,17)(H,19,20)
InChIKeySKISANYUQGFCOG-UHFFFAOYSA-N
XLogP0.66
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid (CID 107832422) is 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is SKISANYUQGFCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-8(13(19)20)5-6-14-12(18)9-3-4-10(21-9)15-11(17)7-1-2-7/h3-4,7-8,16H,1-2,5-6H2,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid?
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 312.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).