4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid

C15H29NO3 — CID 106204642

IUPAC4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OCCC1CCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-9-16-15(3,14(17)18)11-12(2)19-10-8-13-6-5-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyYLARLBYLTIWSJZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.81
Rot. Bonds10

About 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid

4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 106204642) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID106204642
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OCCC1CCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-9-16-15(3,14(17)18)11-12(2)19-10-8-13-6-5-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyYLARLBYLTIWSJZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
4-(3-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)pentanamide
CID 64719823
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
2-(2-cyclobutylethoxy)-N-propylpropan-1-amine
CID 106206061
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid (CID 106204642) is 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)OCCC1CCC1)C(=O)O.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is YLARLBYLTIWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-9-16-15(3,14(17)18)11-12(2)19-10-8-13-6-5-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid?
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106204642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).