2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid

C14H29NO3 — CID 64708806

IUPAC2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OC(C)(C)CC)C(=O)O
InChIInChI=1S/C14H29NO3/c1-7-9-15-14(6,12(16)17)10-11(3)18-13(4,5)8-2/h11,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyHICHMAFHRZKOJE-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.81
Rot. Bonds9

About 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid

2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid (PubChem CID 64708806) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
PubChem CID64708806
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OC(C)(C)CC)C(=O)O
InChIInChI=1S/C14H29NO3/c1-7-9-15-14(6,12(16)17)10-11(3)18-13(4,5)8-2/h11,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyHICHMAFHRZKOJE-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
2-(ethylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanamide
CID 64705904
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid?
The IUPAC name of 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid (CID 64708806) is 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid?
The canonical SMILES for 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)OC(C)(C)CC)C(=O)O.
What is the InChIKey of 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid?
The InChIKey is HICHMAFHRZKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-7-9-15-14(6,12(16)17)10-11(3)18-13(4,5)8-2/h11,15H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid?
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid has a molecular weight of 259.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64708806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).