2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid

C12H24N2O3 — CID 65229351

IUPAC2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)C(CN)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)8(6-13)10(15)14-9(11(16)17)12(3,4)5/h7-9H,6,13H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyIIQOCIAHSCPJIJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds5

About 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 65229351) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID65229351
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)C(CN)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)8(6-13)10(15)14-9(11(16)17)12(3,4)5/h7-9H,6,13H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyIIQOCIAHSCPJIJ-UHFFFAOYSA-N
XLogP0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 65227476
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
2-[(2-acetamido-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467424
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid (CID 65229351) is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid is CC(C)C(CN)C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is IIQOCIAHSCPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)8(6-13)10(15)14-9(11(16)17)12(3,4)5/h7-9H,6,13H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 65229351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).