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

C13H19NO8 — CID 10892476

IUPAC(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@@H]2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C13H19NO8/c1-13(2)21-8-7(19-11(18-4)9(8)22-13)6-5(10(15)16)14(3)12(17)20-6/h5-9,11H,1-4H3,(H,15,16)/t5-,6-,7+,8+,9+,11+/m0/s1
InChIKeyWBCLCVFGQBDBLH-MVSHAXDASA-N
MW317.29 g/mol
LogP-0.22
Rot. Bonds3

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

(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 10892476) has the molecular formula C13H19NO8 and a molecular weight of 317.29 g/mol. Its IUPAC name is (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID10892476
Molecular FormulaC13H19NO8
Molecular Weight317.29 g/mol
Exact Mass317.11
IUPAC Name(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@@H]2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C13H19NO8/c1-13(2)21-8-7(19-11(18-4)9(8)22-13)6-5(10(15)16)14(3)12(17)20-6/h5-9,11H,1-4H3,(H,15,16)/t5-,6-,7+,8+,9+,11+/m0/s1
InChIKeyWBCLCVFGQBDBLH-MVSHAXDASA-N
XLogP-0.22
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 76319482
methyl 2-(bis(tert-butoxycarbonyl)amino)-3-((3aR,4R,6R,6aS)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)propanoate
CID 164889199
(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
(2R)-2-[(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 10502071
(2S)-2-[(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 10598054
tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10915707
methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10925585
tert-butyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 11003248
methyl (4R,5R)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 11078066
ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate
CID 11727728
2-[(4R,5S)-3-acetyl-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidin-5-yl]acetic acid
CID 101009332
tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 101125093

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 10892476) is (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is CO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@@H]2C(=O)O)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is WBCLCVFGQBDBLH-MVSHAXDASA-N. The full InChI is InChI=1S/C13H19NO8/c1-13(2)21-8-7(19-11(18-4)9(8)22-13)6-5(10(15)16)14(3)12(17)20-6/h5-9,11H,1-4H3,(H,15,16)/t5-,6-,7+,8+,9+,11+/m0/s1.
What are the key properties of (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 10892476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).