(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid

C9H15NO5 — CID 125452266

IUPAC(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CO1
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-4-6(5-14-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyZQYJUINCGONFDJ-ZCFIWIBFSA-N
MW217.22 g/mol
LogP0.87
Rot. Bonds1

About (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid

(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid (PubChem CID 125452266) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid
PubChem CID125452266
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CO1
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-4-6(5-14-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyZQYJUINCGONFDJ-ZCFIWIBFSA-N
XLogP0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl oxaziridine-2-carboxylate
CID 87264596
(1R,5R)-9-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98241786
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 67119719
(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
(3S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 139014748
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
tert-butyl 4-methylsulfonyloxazetidine-2-carboxylate
CID 169102171
(5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 127053664
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid (CID 125452266) is (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CO1.
What is the InChIKey of (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid?
The InChIKey is ZQYJUINCGONFDJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-4-6(5-14-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid?
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 125452266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).