2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid

C11H23NO3 — CID 79355808

IUPAC2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCC(C)(C)O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-11(4,9(13)14)12-8-7-10(2,3)15/h12,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyCEJOCYPYRFMLIU-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.38
Rot. Bonds7

About 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid

2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid (PubChem CID 79355808) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
PubChem CID79355808
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCC(C)(C)O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-11(4,9(13)14)12-8-7-10(2,3)15/h12,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyCEJOCYPYRFMLIU-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
CID 43808028
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-formamido-2-methylpentanoic acid
CID 61145661
2-methyl-2-(2-methylbutan-2-ylamino)pentanoic acid
CID 114987745
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
CID 79385556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid (CID 79355808) is 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid is CCCC(C)(NCCC(C)(C)O)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid?
The InChIKey is CEJOCYPYRFMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-11(4,9(13)14)12-8-7-10(2,3)15/h12,15H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid?
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 79355808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).