(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid

C17H27NO8 — CID 166693619

IUPAC(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCO[C@@H]1O[C@H](C[C@@H]2C(=O)O[C@@H](C(C)(C)C)N2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H27NO8/c1-16(2,3)14-18(15(20)21)8(12(19)24-14)7-9-10-11(13(22-6)23-9)26-17(4,5)25-10/h8-11,13-14H,7H2,1-6H3,(H,20,21)/t8-,9-,10-,11-,13-,14+/m1/s1
InChIKeyAJPJKHGRTZSSKM-UZUWAKDBSA-N
MW373.40 g/mol
LogP1.55
Rot. Bonds3

About (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid

(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 166693619) has the molecular formula C17H27NO8 and a molecular weight of 373.40 g/mol. Its IUPAC name is (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID166693619
Molecular FormulaC17H27NO8
Molecular Weight373.40 g/mol
Exact Mass373.17
IUPAC Name(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCO[C@@H]1O[C@H](C[C@@H]2C(=O)O[C@@H](C(C)(C)C)N2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H27NO8/c1-16(2,3)14-18(15(20)21)8(12(19)24-14)7-9-10-11(13(22-6)23-9)26-17(4,5)25-10/h8-11,13-14H,7H2,1-6H3,(H,20,21)/t8-,9-,10-,11-,13-,14+/m1/s1
InChIKeyAJPJKHGRTZSSKM-UZUWAKDBSA-N
XLogP1.55
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid (CID 166693619) is (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid is CO[C@@H]1O[C@H](C[C@@H]2C(=O)O[C@@H](C(C)(C)C)N2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is AJPJKHGRTZSSKM-UZUWAKDBSA-N. The full InChI is InChI=1S/C17H27NO8/c1-16(2,3)14-18(15(20)21)8(12(19)24-14)7-9-10-11(13(22-6)23-9)26-17(4,5)25-10/h8-11,13-14H,7H2,1-6H3,(H,20,21)/t8-,9-,10-,11-,13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid?
(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 373.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 166693619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).