2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid

C15H24N2O5S — CID 15605748

IUPAC2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)[C@@H](C[C@@H](O)c1nc(C(=O)O)cs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5S/c1-8(2)9(17-14(21)22-15(3,4)5)6-11(18)12-16-10(7-23-12)13(19)20/h7-9,11,18H,6H2,1-5H3,(H,17,21)(H,19,20)/t9-,11-/m1/s1
InChIKeyNROSBXFUNYFHHN-MWLCHTKSSA-N
MW344.43 g/mol
LogP2.81
Rot. Bonds6

About 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid

2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 15605748) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid
PubChem CID15605748
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)[C@@H](C[C@@H](O)c1nc(C(=O)O)cs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5S/c1-8(2)9(17-14(21)22-15(3,4)5)6-11(18)12-16-10(7-23-12)13(19)20/h7-9,11,18H,6H2,1-5H3,(H,17,21)(H,19,20)/t9-,11-/m1/s1
InChIKeyNROSBXFUNYFHHN-MWLCHTKSSA-N
XLogP2.81
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid (CID 15605748) is 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid is CC(C)[C@@H](C[C@@H](O)c1nc(C(=O)O)cs1)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NROSBXFUNYFHHN-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-8(2)9(17-14(21)22-15(3,4)5)6-11(18)12-16-10(7-23-12)13(19)20/h7-9,11,18H,6H2,1-5H3,(H,17,21)(H,19,20)/t9-,11-/m1/s1.
What are the key properties of 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid?
2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 344.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 15605748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).