4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid

C11H23NO4 — CID 106249581

IUPAC4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
SMILESCOCCC(C)(O)CNC(C)CCC(=O)O
InChIInChI=1S/C11H23NO4/c1-9(4-5-10(13)14)12-8-11(2,15)6-7-16-3/h9,12,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyITRQCRQVZFIWDJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.62
Rot. Bonds9

About 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid

4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid (PubChem CID 106249581) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
PubChem CID106249581
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
SMILESCOCCC(C)(O)CNC(C)CCC(=O)O
InChIInChI=1S/C11H23NO4/c1-9(4-5-10(13)14)12-8-11(2,15)6-7-16-3/h9,12,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyITRQCRQVZFIWDJ-UHFFFAOYSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
CID 66178586
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 103729745
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
CID 106257307

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid (CID 106249581) is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid is COCCC(C)(O)CNC(C)CCC(=O)O.
What is the InChIKey of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid?
The InChIKey is ITRQCRQVZFIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(4-5-10(13)14)12-8-11(2,15)6-7-16-3/h9,12,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid?
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid is sourced from PubChem (CID 106249581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).