(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C11H19NO5 — CID 68653563

IUPAC(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C[C@H]1COC(C)(C)N1C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-10(2,8(13)14)5-7-6-17-11(3,4)12(7)9(15)16/h7H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyJWBVHWGGZJXXIN-ZETCQYMHSA-N
MW245.27 g/mol
LogP1.60
Rot. Bonds3

About (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 68653563) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID68653563
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C[C@H]1COC(C)(C)N1C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-10(2,8(13)14)5-7-6-17-11(3,4)12(7)9(15)16/h7H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyJWBVHWGGZJXXIN-ZETCQYMHSA-N
XLogP1.60
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 68653563) is (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C)(C[C@H]1COC(C)(C)N1C(=O)O)C(=O)O.
What is the InChIKey of (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is JWBVHWGGZJXXIN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2,8(13)14)5-7-6-17-11(3,4)12(7)9(15)16/h7H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-carboxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 68653563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).