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

C12H22N2O4 — CID 66254547

IUPAC4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CCCN)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-6-14(11(15)4-3-5-13)10-8-18-7-9(10)12(16)17/h9-10H,2-8,13H2,1H3,(H,16,17)
InChIKeyOJOYHFPUAWYKMZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds7

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

4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66254547) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66254547
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CCCN)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-6-14(11(15)4-3-5-13)10-8-18-7-9(10)12(16)17/h9-10H,2-8,13H2,1H3,(H,16,17)
InChIKeyOJOYHFPUAWYKMZ-UHFFFAOYSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115435371
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-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035

Frequently Asked Questions

What is the IUPAC name of 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid (CID 66254547) is 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)CCCN)C1COCC1C(=O)O.
What is the InChIKey of 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OJOYHFPUAWYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-6-14(11(15)4-3-5-13)10-8-18-7-9(10)12(16)17/h9-10H,2-8,13H2,1H3,(H,16,17).
What are the key properties of 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).