4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid

C11H22N2O3 — CID 79202207

IUPAC4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
SMILESCNCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)5-9(11(15)16)13-10(14)8(3)6-12-4/h7-9,12H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyODHYIQWYTSCBEW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.46
Rot. Bonds7

About 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid

4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid (PubChem CID 79202207) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
PubChem CID79202207
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
SMILESCNCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)5-9(11(15)16)13-10(14)8(3)6-12-4/h7-9,12H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyODHYIQWYTSCBEW-UHFFFAOYSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
CID 119787715
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
4-amino-2-[[2-methyl-3-(methylamino)propanoyl]amino]-4-oxobutanoic acid
CID 79202743
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate;hydrochloride
CID 119787714
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
CID 143459468
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid (CID 79202207) is 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid is CNCC(C)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid?
The InChIKey is ODHYIQWYTSCBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)5-9(11(15)16)13-10(14)8(3)6-12-4/h7-9,12H,5-6H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid?
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 79202207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).