3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid

C8H10N2O4S — CID 66354178

IUPAC3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid
SMILESO=C(Nc1ccsc1)NC(CO)C(=O)O
InChIInChI=1S/C8H10N2O4S/c11-3-6(7(12)13)10-8(14)9-5-1-2-15-4-5/h1-2,4,6,11H,3H2,(H,12,13)(H2,9,10,14)
InChIKeyDZYFJPOOIVSOHU-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.32
Rot. Bonds4

About 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid

3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid (PubChem CID 66354178) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid
PubChem CID66354178
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid
SMILESO=C(Nc1ccsc1)NC(CO)C(=O)O
InChIInChI=1S/C8H10N2O4S/c11-3-6(7(12)13)10-8(14)9-5-1-2-15-4-5/h1-2,4,6,11H,3H2,(H,12,13)(H2,9,10,14)
InChIKeyDZYFJPOOIVSOHU-UHFFFAOYSA-N
XLogP0.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid (CID 66354178) is 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid is O=C(Nc1ccsc1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid?
The InChIKey is DZYFJPOOIVSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c11-3-6(7(12)13)10-8(14)9-5-1-2-15-4-5/h1-2,4,6,11H,3H2,(H,12,13)(H2,9,10,14).
What are the key properties of 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid?
3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66354178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).