3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid

C10H17NO4 — CID 165463327

IUPAC3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
SMILESCC(C)C(=O)NCC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO4/c1-7(2)8(12)11-5-10(9(13)14)3-4-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWEMFLOGFBCJYSX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.25
Rot. Bonds4

About 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid

3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid (PubChem CID 165463327) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
PubChem CID165463327
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
SMILESCC(C)C(=O)NCC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO4/c1-7(2)8(12)11-5-10(9(13)14)3-4-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWEMFLOGFBCJYSX-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
3-ethyloxolane-3-carboxylic acid
CID 62740785
4-[(2-butylsulfanylpropanoylamino)methyl]oxane-4-carboxylic acid
CID 120542809
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356
4-[(3-methylhexanoylamino)methyl]oxane-4-carboxylic acid
CID 120542139

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid (CID 165463327) is 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid is CC(C)C(=O)NCC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid?
The InChIKey is WEMFLOGFBCJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)8(12)11-5-10(9(13)14)3-4-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid?
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 165463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).