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

C7H13NO3 — CID 90330200

IUPAC(4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@H]1OC(C)(C)N[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-5(6(9)10)8-7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyWERBLENYQRPDKK-UHNVWZDZSA-N
MW159.18 g/mol
LogP0.18
Rot. Bonds1

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

(4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 90330200) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID90330200
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@H]1OC(C)(C)N[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-5(6(9)10)8-7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyWERBLENYQRPDKK-UHNVWZDZSA-N
XLogP0.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (CID 90330200) is (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is C[C@H]1OC(C)(C)N[C@@H]1C(=O)O.
What is the InChIKey of (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is WERBLENYQRPDKK-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-5(6(9)10)8-7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
(4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 90330200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).