3-(2-methylpentanoylamino)oxolane-3-carboxylic acid

C11H19NO4 — CID 64888051

IUPAC3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
SMILESCCCC(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H19NO4/c1-3-4-8(2)9(13)12-11(10(14)15)5-6-16-7-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJZFLXWBDFBHECS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds5

About 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid

3-(2-methylpentanoylamino)oxolane-3-carboxylic acid (PubChem CID 64888051) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
PubChem CID64888051
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
SMILESCCCC(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H19NO4/c1-3-4-8(2)9(13)12-11(10(14)15)5-6-16-7-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJZFLXWBDFBHECS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891249
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889563

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid (CID 64888051) is 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid is CCCC(C)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid?
The InChIKey is JZFLXWBDFBHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-4-8(2)9(13)12-11(10(14)15)5-6-16-7-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid?
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).