(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid

C23H39NO6 — CID 57143546

IUPAC(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)[C@H]([C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CC2CCCCC2)O1
InChIInChI=1S/C23H39NO6/c1-14-12-16(20(25)26)18(28-14)19-17(13-15-10-8-7-9-11-15)24(23(5,6)29-19)21(27)30-22(2,3)4/h14-19H,7-13H2,1-6H3,(H,25,26)/t14-,16+,17-,18+,19+/m0/s1
InChIKeyWSPLPZPGMIKLCY-IKLKHMQRSA-N
MW425.57 g/mol
LogP4.58
Rot. Bonds4

About (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid

(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid (PubChem CID 57143546) has the molecular formula C23H39NO6 and a molecular weight of 425.57 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid
PubChem CID57143546
Molecular FormulaC23H39NO6
Molecular Weight425.57 g/mol
Exact Mass425.28
IUPAC Name(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)[C@H]([C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CC2CCCCC2)O1
InChIInChI=1S/C23H39NO6/c1-14-12-16(20(25)26)18(28-14)19-17(13-15-10-8-7-9-11-15)24(23(5,6)29-19)21(27)30-22(2,3)4/h14-19H,7-13H2,1-6H3,(H,25,26)/t14-,16+,17-,18+,19+/m0/s1
InChIKeyWSPLPZPGMIKLCY-IKLKHMQRSA-N
XLogP4.58
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22847398
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-1,3-oxazolidine-3-carboxylate
CID 14654500
2-[[4-(Cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]-3-methylbutanoic acid
CID 14777052
(2S)-2-[[(4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]-3-methylbutanoic acid
CID 14777053
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22848267
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-2-ethoxycarbonyl-1-hydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22848269
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S)-3-ethoxy-1-hydroxy-2,2-dimethyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22848287
(4S,5R)-5-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-oxo-1,3-dioxolane-4-carboxylic acid
CID 57077155
tert-butyl (4S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]-1,3-oxazolidine-3-carboxylate
CID 57079151
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(2R,3R)-3-methoxycarbonyloxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57089734
3-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
CID 57157206
(2R,3R)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]oxolane-3-carboxylic acid
CID 57172373

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid?
The IUPAC name of (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid (CID 57143546) is (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid is C[C@H]1C[C@@H](C(=O)O)[C@H]([C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CC2CCCCC2)O1.
What is the InChIKey of (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid?
The InChIKey is WSPLPZPGMIKLCY-IKLKHMQRSA-N. The full InChI is InChI=1S/C23H39NO6/c1-14-12-16(20(25)26)18(28-14)19-17(13-15-10-8-7-9-11-15)24(23(5,6)29-19)21(27)30-22(2,3)4/h14-19H,7-13H2,1-6H3,(H,25,26)/t14-,16+,17-,18+,19+/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid?
(2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid has a molecular weight of 425.57 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-5-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 57143546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).