4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid

C16H29NO4 — CID 82985265

IUPAC4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(CCC)C(=O)N(CCC)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO4/c1-4-7-12(8-5-2)15(18)17(9-6-3)14-11-21-10-13(14)16(19)20/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyCFWKFZBMGJVDBM-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.54
Rot. Bonds9

About 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid

4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 82985265) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
PubChem CID82985265
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(CCC)C(=O)N(CCC)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO4/c1-4-7-12(8-5-2)15(18)17(9-6-3)14-11-21-10-13(14)16(19)20/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyCFWKFZBMGJVDBM-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid (CID 82985265) is 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid is CCCC(CCC)C(=O)N(CCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CFWKFZBMGJVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-4-7-12(8-5-2)15(18)17(9-6-3)14-11-21-10-13(14)16(19)20/h12-14H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid?
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 82985265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).