2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid

C9H15NO4 — CID 10584218

IUPAC2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCC(C)(C)[C@H]1COC(=O)N1CC(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)6-5-14-8(13)10(6)4-7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyWIUFQRJQBWXDHY-ZCFIWIBFSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds2

About 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid

2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid (PubChem CID 10584218) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
PubChem CID10584218
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCC(C)(C)[C@H]1COC(=O)N1CC(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)6-5-14-8(13)10(6)4-7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyWIUFQRJQBWXDHY-ZCFIWIBFSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
CID 10751371
(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
CID 132500259
N-(4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 140849838
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
CID 18768682
3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 144814207
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10809871
(4S)-4-tert-butyl-3-[(E)-4-methylpent-2-enoyl]-1,3-oxazolidin-2-one
CID 11310985
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
(4S)-4-tert-butyl-3-[(3R)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 102237783

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid (CID 10584218) is 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid is CC(C)(C)[C@H]1COC(=O)N1CC(=O)O.
What is the InChIKey of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The InChIKey is WIUFQRJQBWXDHY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)6-5-14-8(13)10(6)4-7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid is sourced from PubChem (CID 10584218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).