2-(2,4-dimethylpentanoylamino)propanoic acid

C10H19NO3 — CID 90967232

IUPAC2-(2,4-dimethylpentanoylamino)propanoic acid
SMILESCC(C)CC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)5-7(3)9(12)11-8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyQLBAJKAAZQCFFE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds5

About 2-(2,4-dimethylpentanoylamino)propanoic acid

2-(2,4-dimethylpentanoylamino)propanoic acid (PubChem CID 90967232) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,4-dimethylpentanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpentanoylamino)propanoic acid
PubChem CID90967232
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2,4-dimethylpentanoylamino)propanoic acid
SMILESCC(C)CC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)5-7(3)9(12)11-8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyQLBAJKAAZQCFFE-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutanoylamino)propanoic acid
CID 14758658
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
2-[[(2S)-2-[(2-bromoacetyl)amino]-4-methylpentanoyl]amino]propanoic acid
CID 141023780
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 25120391
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 175941591
(2S)-2-[[4-methyl-2-(1-sulfanylethyl)pentanoyl]amino]propanoic acid
CID 88613565
(3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 175941602
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18295601
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18751284
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18487703
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 134825719
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentanoylamino)propanoic acid?
The IUPAC name of 2-(2,4-dimethylpentanoylamino)propanoic acid (CID 90967232) is 2-(2,4-dimethylpentanoylamino)propanoic acid.
What is the SMILES notation for 2-(2,4-dimethylpentanoylamino)propanoic acid?
The canonical SMILES for 2-(2,4-dimethylpentanoylamino)propanoic acid is CC(C)CC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2,4-dimethylpentanoylamino)propanoic acid?
The InChIKey is QLBAJKAAZQCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)5-7(3)9(12)11-8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2,4-dimethylpentanoylamino)propanoic acid?
2-(2,4-dimethylpentanoylamino)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentanoylamino)propanoic acid is sourced from PubChem (CID 90967232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).