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

C13H25NO3 — CID 106204603

IUPAC4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)OCCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10(9-13(2,14-3)12(15)16)17-8-7-11-5-4-6-11/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyLVCWGZGASDREKZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.03
Rot. Bonds8

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

4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 106204603) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID106204603
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)OCCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10(9-13(2,14-3)12(15)16)17-8-7-11-5-4-6-11/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyLVCWGZGASDREKZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 82007441
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
2-(2-cyclobutylethoxy)-N-methylpropan-1-amine
CID 106201858
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid (CID 106204603) is 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)OCCC1CCC1)C(=O)O.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is LVCWGZGASDREKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(9-13(2,14-3)12(15)16)17-8-7-11-5-4-6-11/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid?
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.03, 8 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-(methylamino)pentanoic acid is sourced from PubChem (CID 106204603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).