2-methyl-2-(3-methylbutylamino)pentanoic acid

C11H23NO2 — CID 43619536

IUPAC2-methyl-2-(3-methylbutylamino)pentanoic acid
SMILESCCCC(C)(NCCC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-7-11(4,10(13)14)12-8-6-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyUSONKCAGFQKLMK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.27
Rot. Bonds7

About 2-methyl-2-(3-methylbutylamino)pentanoic acid

2-methyl-2-(3-methylbutylamino)pentanoic acid (PubChem CID 43619536) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutylamino)pentanoic acid
PubChem CID43619536
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-2-(3-methylbutylamino)pentanoic acid
SMILESCCCC(C)(NCCC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-7-11(4,10(13)14)12-8-6-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyUSONKCAGFQKLMK-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
CID 43808028
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
methyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)butanoate
CID 107756143
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(3-methylbutylamino)pentanoic acid (CID 43619536) is 2-methyl-2-(3-methylbutylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylbutylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylbutylamino)pentanoic acid is CCCC(C)(NCCC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-methylbutylamino)pentanoic acid?
The InChIKey is USONKCAGFQKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-11(4,10(13)14)12-8-6-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-2-(3-methylbutylamino)pentanoic acid?
2-methyl-2-(3-methylbutylamino)pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutylamino)pentanoic acid is sourced from PubChem (CID 43619536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).