4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C15H32N2O2 — CID 64726647

IUPAC4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(CC)C(C)CC)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-7-10-16-15(6,14(18)19)11-13(5)17(9-3)12(4)8-2/h12-13,16H,7-11H2,1-6H3,(H,18,19)
InChIKeyYQCRUIFNAPLEGB-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.73
Rot. Bonds10

About 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid

4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64726647) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64726647
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(CC)C(C)CC)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-7-10-16-15(6,14(18)19)11-13(5)17(9-3)12(4)8-2/h12-13,16H,7-11H2,1-6H3,(H,18,19)
InChIKeyYQCRUIFNAPLEGB-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 64726647) is 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(CC)C(C)CC)C(=O)O.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is YQCRUIFNAPLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-10-16-15(6,14(18)19)11-13(5)17(9-3)12(4)8-2/h12-13,16H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 272.43 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64726647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).