2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid

C11H20N2O5 — CID 118551239

IUPAC2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
SMILESCNC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-6(2)9(12-3)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9,12H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyADFOJJJBEYKQLR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.34
Rot. Bonds8

About 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid

2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid (PubChem CID 118551239) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
PubChem CID118551239
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
SMILESCNC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-6(2)9(12-3)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9,12H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyADFOJJJBEYKQLR-UHFFFAOYSA-N
XLogP-0.34
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
2-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoylamino]pentanedioic acid
CID 18492238
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoyl]amino]pentanedioic acid
CID 18232522
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid
CID 18491419
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
2-[[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18484479
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]pentanoic acid
CID 175801756
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 22700553
2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 18744742

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid (CID 118551239) is 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid is CNC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C.
What is the InChIKey of 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid?
The InChIKey is ADFOJJJBEYKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)9(12-3)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9,12H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid?
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid is sourced from PubChem (CID 118551239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).