(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

C10H17NO5 — CID 14039023

IUPAC(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCOC(=O)N1[C@H](C(=O)O)CO[C@@H]1C(C)(C)C
InChIInChI=1S/C10H17NO5/c1-10(2,3)8-11(9(14)15-4)6(5-16-8)7(12)13/h6,8H,5H2,1-4H3,(H,12,13)/t6-,8+/m0/s1
InChIKeyHBAVGXKPBOBKLD-POYBYMJQSA-N
MW231.25 g/mol
LogP0.91
Rot. Bonds1

About (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 14039023) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID14039023
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCOC(=O)N1[C@H](C(=O)O)CO[C@@H]1C(C)(C)C
InChIInChI=1S/C10H17NO5/c1-10(2,3)8-11(9(14)15-4)6(5-16-8)7(12)13/h6,8H,5H2,1-4H3,(H,12,13)/t6-,8+/m0/s1
InChIKeyHBAVGXKPBOBKLD-POYBYMJQSA-N
XLogP0.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (CID 14039023) is (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is COC(=O)N1[C@H](C(=O)O)CO[C@@H]1C(C)(C)C.
What is the InChIKey of (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is HBAVGXKPBOBKLD-POYBYMJQSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)8-11(9(14)15-4)6(5-16-8)7(12)13/h6,8H,5H2,1-4H3,(H,12,13)/t6-,8+/m0/s1.
What are the key properties of (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
(2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-tert-butyl-3-methoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 14039023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).