2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid

C13H25NO3 — CID 20766230

IUPAC2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
SMILESCCC(C)C(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-9(4)10(5)12(15)14-11(13(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyJMVORVIVMIPTFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.28
Rot. Bonds7

About 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid

2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid (PubChem CID 20766230) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
PubChem CID20766230
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
SMILESCCC(C)C(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-9(4)10(5)12(15)14-11(13(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyJMVORVIVMIPTFL-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 118060725
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18221781
2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
CID 18221688
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
CID 18502292
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18488475
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid (CID 20766230) is 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid is CCC(C)C(C)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid?
The InChIKey is JMVORVIVMIPTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-9(4)10(5)12(15)14-11(13(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid?
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 20766230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).