2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

C10H17NO4 — CID 115060016

IUPAC2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESCC(C)(C)CN1CC(CC(=O)O)OC1=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)6-11-5-7(4-8(12)13)15-9(11)14/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyOKBYKICLJLRQJC-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds3

About 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 115060016) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
PubChem CID115060016
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESCC(C)(C)CN1CC(CC(=O)O)OC1=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)6-11-5-7(4-8(12)13)15-9(11)14/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyOKBYKICLJLRQJC-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
2-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 23551399
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
CID 122432040
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065107
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011044

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (CID 115060016) is 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is CC(C)(C)CN1CC(CC(=O)O)OC1=O.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is OKBYKICLJLRQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)6-11-5-7(4-8(12)13)15-9(11)14/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 115060016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).