2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid

C12H23N3O4 — CID 15677195

IUPAC2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-10(2,13)7(16)14-11(3,4)8(17)15-12(5,6)9(18)19/h13H2,1-6H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKIYPXJWEIKRDBE-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.40
Rot. Bonds5

About 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid

2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid (PubChem CID 15677195) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
PubChem CID15677195
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-10(2,13)7(16)14-11(3,4)8(17)15-12(5,6)9(18)19/h13H2,1-6H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKIYPXJWEIKRDBE-UHFFFAOYSA-N
XLogP-0.40
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Ala-Ala-Ala
CID 5478845
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468
H-Ala-Ala-D-Ala-OH
CID 111104
H-Ala-D-Ala-Ala-OH
CID 7017967
2-[[(2S)-2-aminopropanoyl]amino]-2-methylpropanoic acid
CID 20111857
N-Acetyl-L-alanyl-L-alanyl-L-alanine
CID 5483957
(2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoic acid
CID 44384607
N-acetyl-2-methylalanine
CID 233700
[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium
CID 102014683
2-Methylalanyl-2-methylalanine
CID 547865
H-D-Ala-D-Ala-D-Ala-OH
CID 6993391
H-D-Ala-Ala-Ala-OH
CID 7018170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid (CID 15677195) is 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid is CC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The InChIKey is KIYPXJWEIKRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-10(2,13)7(16)14-11(3,4)8(17)15-12(5,6)9(18)19/h13H2,1-6H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?
2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 15677195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).