4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid

C14H23NO4 — CID 103162016

IUPAC4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-2-6-15(13(16)7-10-4-3-5-10)12-9-19-8-11(12)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyONLKLLQLXIZHBC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds6

About 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid

4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 103162016) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID103162016
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-2-6-15(13(16)7-10-4-3-5-10)12-9-19-8-11(12)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyONLKLLQLXIZHBC-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-cyanoethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66251544

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid (CID 103162016) is 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)CC1CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is ONLKLLQLXIZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-6-15(13(16)7-10-4-3-5-10)12-9-19-8-11(12)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid?
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103162016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).