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

C11H20N2O4 — CID 69481433

IUPAC(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C(=O)N(C)C)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(9(14)12(4)5)8-6-17-11(2,3)13(8)10(15)16/h7-8H,6H2,1-5H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyULYKCZRLVMKMGY-MQWKRIRWSA-N
MW244.29 g/mol
LogP0.83
Rot. Bonds2

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

(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69481433) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID69481433
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C(=O)N(C)C)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(9(14)12(4)5)8-6-17-11(2,3)13(8)10(15)16/h7-8H,6H2,1-5H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyULYKCZRLVMKMGY-MQWKRIRWSA-N
XLogP0.83
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 69481433) is (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C(=O)N(C)C)[C@@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is ULYKCZRLVMKMGY-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(9(14)12(4)5)8-6-17-11(2,3)13(8)10(15)16/h7-8H,6H2,1-5H3,(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69481433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).