2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

C13H23NO5 — CID 134916698

IUPAC2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyRBMDCRCXBBTHFB-RKDXNWHRSA-N
MW273.33 g/mol
LogP2.22
Rot. Bonds2

About 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 134916698) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
PubChem CID134916698
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyRBMDCRCXBBTHFB-RKDXNWHRSA-N
XLogP2.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid with MolForge

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Related Compounds

(4S,5R)-3-[(tert-butoxy)carbonyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 10956272
(S)-3-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)propanoic acid
CID 10635974
1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,3S)-rel-
CID 10988545
1-tert-Butyl 2-methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 11075706
(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
CID 11265769
1-tert-butyl 2-methyl (2S,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 14729253
1-Tert-butyl 2-methyl (2R,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 22940431
(4S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 58831683
3-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)propionic acid
CID 67406822
tert-butyl (4R)-4-[(1R,2R)-3-ethoxy-2-fluoro-1-hydroxy-2-methyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90176449
tert-butyl (4R)-2,2-dimethyl-4-[(1R,2R)-3,3,3-trifluoro-1-hydroxy-2-(methoxycarbonyl)propyl]-1,3-oxazolidine-3-carboxylate
CID 117916025
2-fluoro-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]propanoic acid
CID 167396034

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (CID 134916698) is 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is C[C@@H]1[C@@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is RBMDCRCXBBTHFB-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 134916698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).