5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid

C12H24N2O5 — CID 154964460

IUPAC5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid
SMILESCCC(C)C(NC)C(=O)NC(CCC(O)O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-7(2)10(13-3)11(17)14-8(12(18)19)5-6-9(15)16/h7-10,13,15-16H,4-6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyWJULXMRYROMGEB-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.72
Rot. Bonds9

About 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid

5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid (PubChem CID 154964460) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid
PubChem CID154964460
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid
SMILESCCC(C)C(NC)C(=O)NC(CCC(O)O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-7(2)10(13-3)11(17)14-8(12(18)19)5-6-9(15)16/h7-10,13,15-16H,4-6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyWJULXMRYROMGEB-UHFFFAOYSA-N
XLogP-0.72
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
(2S)-2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 114004858
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 18239114
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 145456176
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 18297981
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 18491220
5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 19941841
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18236539
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
CID 22706344
5-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18743686
(4S)-4-amino-5-[[(2S,3S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 145455406

Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid?
The IUPAC name of 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid (CID 154964460) is 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid.
What is the SMILES notation for 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid?
The canonical SMILES for 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid is CCC(C)C(NC)C(=O)NC(CCC(O)O)C(=O)O.
What is the InChIKey of 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid?
The InChIKey is WJULXMRYROMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-4-7(2)10(13-3)11(17)14-8(12(18)19)5-6-9(15)16/h7-10,13,15-16H,4-6H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid?
5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid has a molecular weight of 276.33 g/mol, XLogP of -0.72, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxy-2-[[3-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 154964460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).