(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid

C12H12N2O5S — CID 80748324

IUPAC(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyXBCKSCTVATXILF-MRVPVSSYSA-N
MW296.30 g/mol
LogP0.51
Rot. Bonds6

About (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80748324) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80748324
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyXBCKSCTVATXILF-MRVPVSSYSA-N
XLogP0.51
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (CID 80748324) is (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is O=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XBCKSCTVATXILF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 296.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80748324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).