(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid

C21H39NO6 — CID 22882405

IUPAC(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid
SMILESCC[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO)C(=O)O
InChIInChI=1S/C21H39NO6/c1-9-14(17(24)25)12-16-15(13-20(5,6)10-11-23)22(21(7,8)27-16)18(26)28-19(2,3)4/h14-16,23H,9-13H2,1-8H3,(H,24,25)/t14-,15+,16+/m1/s1
InChIKeyCWNCLCVRPVBAAU-PMPSAXMXSA-N
MW401.54 g/mol
LogP4.03
Rot. Bonds8

About (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid

(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid (PubChem CID 22882405) has the molecular formula C21H39NO6 and a molecular weight of 401.54 g/mol. Its IUPAC name is (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid
PubChem CID22882405
Molecular FormulaC21H39NO6
Molecular Weight401.54 g/mol
Exact Mass401.28
IUPAC Name(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid
SMILESCC[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO)C(=O)O
InChIInChI=1S/C21H39NO6/c1-9-14(17(24)25)12-16-15(13-20(5,6)10-11-23)22(21(7,8)27-16)18(26)28-19(2,3)4/h14-16,23H,9-13H2,1-8H3,(H,24,25)/t14-,15+,16+/m1/s1
InChIKeyCWNCLCVRPVBAAU-PMPSAXMXSA-N
XLogP4.03
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]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 (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid?
The IUPAC name of (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid (CID 22882405) is (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid.
What is the SMILES notation for (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid?
The canonical SMILES for (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid is CC[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid?
The InChIKey is CWNCLCVRPVBAAU-PMPSAXMXSA-N. The full InChI is InChI=1S/C21H39NO6/c1-9-14(17(24)25)12-16-15(13-20(5,6)10-11-23)22(21(7,8)27-16)18(26)28-19(2,3)4/h14-16,23H,9-13H2,1-8H3,(H,24,25)/t14-,15+,16+/m1/s1.
What are the key properties of (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid?
(2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid has a molecular weight of 401.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4S,5S)-4-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]butanoic acid is sourced from PubChem (CID 22882405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).