(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid

C9H15NO5 — CID 156595919

IUPAC(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CO[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)5-4-14-6(10-5)7(11)12/h5-6,10H,4H2,1-3H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyQVQNZCKOUBUTKE-WDSKDSINSA-N
MW217.22 g/mol
LogP-0.27
Rot. Bonds2

About (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid

(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid (PubChem CID 156595919) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid
PubChem CID156595919
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CO[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)5-4-14-6(10-5)7(11)12/h5-6,10H,4H2,1-3H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyQVQNZCKOUBUTKE-WDSKDSINSA-N
XLogP-0.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid (CID 156595919) is (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CO[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is QVQNZCKOUBUTKE-WDSKDSINSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)5-4-14-6(10-5)7(11)12/h5-6,10H,4H2,1-3H3,(H,11,12)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid?
(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 156595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).