4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid

C14H25NO5 — CID 103018900

IUPAC4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC(C)(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-6-15(12(16)7-14(2,3)19-4)11-9-20-8-10(11)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyHJGIVJUYJWXMFT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.14
Rot. Bonds7

About 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid

4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 103018900) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID103018900
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC(C)(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-6-15(12(16)7-14(2,3)19-4)11-9-20-8-10(11)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyHJGIVJUYJWXMFT-UHFFFAOYSA-N
XLogP1.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid (CID 103018900) is 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)CC(C)(C)OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is HJGIVJUYJWXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-6-15(12(16)7-14(2,3)19-4)11-9-20-8-10(11)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid?
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103018900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).