2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid

C9H10N2O5S — CID 87641896

IUPAC2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESC=CCOC(=O)Nc1nc(C(O)C(=O)O)cs1
InChIInChI=1S/C9H10N2O5S/c1-2-3-16-9(15)11-8-10-5(4-17-8)6(12)7(13)14/h2,4,6,12H,1,3H2,(H,13,14)(H,10,11,15)
InChIKeyAGZVNIDLDQBWLO-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.00
Rot. Bonds5

About 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid

2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 87641896) has the molecular formula C9H10N2O5S and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID87641896
Molecular FormulaC9H10N2O5S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESC=CCOC(=O)Nc1nc(C(O)C(=O)O)cs1
InChIInChI=1S/C9H10N2O5S/c1-2-3-16-9(15)11-8-10-5(4-17-8)6(12)7(13)14/h2,4,6,12H,1,3H2,(H,13,14)(H,10,11,15)
InChIKeyAGZVNIDLDQBWLO-UHFFFAOYSA-N
XLogP1.00
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid (CID 87641896) is 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid is C=CCOC(=O)Nc1nc(C(O)C(=O)O)cs1.
What is the InChIKey of 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AGZVNIDLDQBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S/c1-2-3-16-9(15)11-8-10-5(4-17-8)6(12)7(13)14/h2,4,6,12H,1,3H2,(H,13,14)(H,10,11,15).
What are the key properties of 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid?
2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 258.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87641896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).