5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid

C11H21NO4 — CID 65108474

IUPAC5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(O)CNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(3,16)7-12-9(13)5-8(2)6-10(14)15/h8,16H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDJOMWUSLOOETCZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.76
Rot. Bonds7

About 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid

5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 65108474) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID65108474
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(O)CNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(3,16)7-12-9(13)5-8(2)6-10(14)15/h8,16H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDJOMWUSLOOETCZ-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 66001344
3-methyl-5-(3-methylpentan-3-ylamino)-5-oxopentanoic acid
CID 106328220
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 64549300
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid (CID 65108474) is 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid is CCC(C)(O)CNC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is DJOMWUSLOOETCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-11(3,16)7-12-9(13)5-8(2)6-10(14)15/h8,16H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 65108474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).