(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C10H18N2O4 — CID 69483399

IUPAC(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCN(C)C(=O)C[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2)12(9(14)15)7(6-16-10)5-8(13)11(3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyIZKGNHOTWNNFID-SSDOTTSWSA-N
MW230.26 g/mol
LogP0.58
Rot. Bonds2

About (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69483399) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID69483399
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCN(C)C(=O)C[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2)12(9(14)15)7(6-16-10)5-8(13)11(3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyIZKGNHOTWNNFID-SSDOTTSWSA-N
XLogP0.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 69483399) is (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CN(C)C(=O)C[C@@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is IZKGNHOTWNNFID-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2)12(9(14)15)7(6-16-10)5-8(13)11(3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69483399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).