5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid

C7H11NO4 — CID 22601133

IUPAC5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)C1C(=O)OCN1C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)5-6(9)12-3-8(5)7(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyZSKGBHLRQNHZNJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.51
Rot. Bonds1

About 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid

5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22601133) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid
PubChem CID22601133
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)C1C(=O)OCN1C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)5-6(9)12-3-8(5)7(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyZSKGBHLRQNHZNJ-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
3,3-Dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
CID 63645325
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
2-[Bis(methoxycarbonyl)amino]-3-methylbutanoic acid
CID 360223
(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
CID 14895511
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
CID 10464563
(S)-tert-Butyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate
CID 11492461
tert-butyl (4R)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11770651
4-Tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
CID 14895510
3,4-Diisopropyl-oxazolidine-2,5-dione
CID 20461183
4-Ethyl-3-methyl-1,3-oxazolidine-2,5-dione
CID 20586619
3-Methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
CID 20645693

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid (CID 22601133) is 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid is CC(C)C1C(=O)OCN1C(=O)O.
What is the InChIKey of 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is ZSKGBHLRQNHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(2)5-6(9)12-3-8(5)7(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid?
5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).