(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid

C16H25N3O5 — CID 100996279

IUPAC(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid
SMILESCC(C)[C@@H](C(=O)O)n1ccc([C@@H]2COCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H25N3O5/c1-10(2)13(14(20)21)19-7-6-11(17-19)12-8-23-9-18(12)15(22)24-16(3,4)5/h6-7,10,12-13H,8-9H2,1-5H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyDPVDOKPZZIWQMD-STQMWFEESA-N
MW339.39 g/mol
LogP2.43
Rot. Bonds4

About (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid

(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid (PubChem CID 100996279) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid
PubChem CID100996279
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid
SMILESCC(C)[C@@H](C(=O)O)n1ccc([C@@H]2COCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H25N3O5/c1-10(2)13(14(20)21)19-7-6-11(17-19)12-8-23-9-18(12)15(22)24-16(3,4)5/h6-7,10,12-13H,8-9H2,1-5H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyDPVDOKPZZIWQMD-STQMWFEESA-N
XLogP2.43
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid (CID 100996279) is (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid is CC(C)[C@@H](C(=O)O)n1ccc([C@@H]2COCN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid?
The InChIKey is DPVDOKPZZIWQMD-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N3O5/c1-10(2)13(14(20)21)19-7-6-11(17-19)12-8-23-9-18(12)15(22)24-16(3,4)5/h6-7,10,12-13H,8-9H2,1-5H3,(H,20,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid?
(2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid has a molecular weight of 339.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[3-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 100996279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).