5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid

C12H16N2O4S — CID 61477594

IUPAC5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccsc1
InChIInChI=1S/C12H16N2O4S/c15-10(2-1-3-11(16)17)14-12(18)13-6-4-9-5-7-19-8-9/h5,7-8H,1-4,6H2,(H,16,17)(H2,13,14,15,18)
InChIKeyCUWOOCDOZJJMPA-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.37
Rot. Bonds7

About 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid

5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid (PubChem CID 61477594) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
PubChem CID61477594
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccsc1
InChIInChI=1S/C12H16N2O4S/c15-10(2-1-3-11(16)17)14-12(18)13-6-4-9-5-7-19-8-9/h5,7-8H,1-4,6H2,(H,16,17)(H2,13,14,15,18)
InChIKeyCUWOOCDOZJJMPA-UHFFFAOYSA-N
XLogP1.37
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
6-thiophen-3-ylhexanoic acid
CID 24722734
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
CID 145230148
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid (CID 61477594) is 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid is O=C(O)CCCC(=O)NC(=O)NCCc1ccsc1.
What is the InChIKey of 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is CUWOOCDOZJJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-10(2-1-3-11(16)17)14-12(18)13-6-4-9-5-7-19-8-9/h5,7-8H,1-4,6H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).