5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C16H32N2O2 — CID 107401112

IUPAC5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCN(CCCC(C)(NC(C)C)C(=O)O)CC1CCC1
InChIInChI=1S/C16H32N2O2/c1-5-18(12-14-8-6-9-14)11-7-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyXTWLDAXSEXMJIP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds10

About 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 107401112) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID107401112
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCN(CCCC(C)(NC(C)C)C(=O)O)CC1CCC1
InChIInChI=1S/C16H32N2O2/c1-5-18(12-14-8-6-9-14)11-7-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyXTWLDAXSEXMJIP-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 63964909
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 107401112) is 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is CCN(CCCC(C)(NC(C)C)C(=O)O)CC1CCC1.
What is the InChIKey of 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is XTWLDAXSEXMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-18(12-14-8-6-9-14)11-7-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 284.44 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 5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 107401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).