3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid

C11H18N2O5S — CID 20623033

IUPAC3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCSC1C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-11(2,3)18-10(17)12-6-7(14)13-4-5-19-8(13)9(15)16/h8H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyXIXPBRLOPAOSTF-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.50
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid

3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid (PubChem CID 20623033) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid
PubChem CID20623033
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCSC1C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-11(2,3)18-10(17)12-6-7(14)13-4-5-19-8(13)9(15)16/h8H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyXIXPBRLOPAOSTF-UHFFFAOYSA-N
XLogP0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid (CID 20623033) is 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid is CC(C)(C)OC(=O)NCC(=O)N1CCSC1C(=O)O.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is XIXPBRLOPAOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-11(2,3)18-10(17)12-6-7(14)13-4-5-19-8(13)9(15)16/h8H,4-6H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid?
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 20623033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).