3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid

C10H17NO4 — CID 115064691

IUPAC3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCCCN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-6-11-9(14)15-7-10(11,2)5-4-8(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyMIXVXPPCNMPYDO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid

3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 115064691) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID115064691
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCCCN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-6-11-9(14)15-7-10(11,2)5-4-8(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyMIXVXPPCNMPYDO-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid (CID 115064691) is 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid is CCCN1C(=O)OCC1(C)CCC(=O)O.
What is the InChIKey of 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is MIXVXPPCNMPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-6-11-9(14)15-7-10(11,2)5-4-8(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid?
3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-3-propyl-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 115064691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).