(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

C14H17NO4 — CID 11300018

IUPAC(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OC(C)(C)N(C(=O)c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-9-11(13(17)18)15(14(2,3)19-9)12(16)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyYABYLCSPKRVWOK-ONGXEEELSA-N
MW263.29 g/mol
LogP1.74
Rot. Bonds2

About (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 11300018) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID11300018
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OC(C)(C)N(C(=O)c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-9-11(13(17)18)15(14(2,3)19-9)12(16)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyYABYLCSPKRVWOK-ONGXEEELSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (CID 11300018) is (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is C[C@@H]1OC(C)(C)N(C(=O)c2ccccc2)[C@@H]1C(=O)O.
What is the InChIKey of (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is YABYLCSPKRVWOK-ONGXEEELSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-11(13(17)18)15(14(2,3)19-9)12(16)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,17,18)/t9-,11-/m0/s1.
What are the key properties of (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
(4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 11300018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).