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

C11H21N3O4 — CID 23422407

IUPAC2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCC(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(12)7(15)13-10(2,3)8(16)14-11(4,5)9(17)18/h6H,12H2,1-5H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQEAFMEGVOJQOPP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.79
Rot. Bonds5

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

2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid (PubChem CID 23422407) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
PubChem CID23422407
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCC(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(12)7(15)13-10(2,3)8(16)14-11(4,5)9(17)18/h6H,12H2,1-5H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQEAFMEGVOJQOPP-UHFFFAOYSA-N
XLogP-0.79
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
Ala-Val
CID 96799
D-Alanyl-D-Alanine
CID 5460362
Ala-Gly
CID 6998029
Val-Ala
CID 6992638
Ala-Ala-Ala
CID 5478845
N-Glycylalanine
CID 98153
Alanyl-alanyl-alanyl-alanine
CID 5478846
Glycyl-L-alanine
CID 1551643
D,L-Alanylglycylglycine
CID 136714
Glycyl-alanyl-valine
CID 129439
DL-Alanyl-DL-alanine
CID 601

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid (CID 23422407) is 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid is CC(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The InChIKey is QEAFMEGVOJQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(12)7(15)13-10(2,3)8(16)14-11(4,5)9(17)18/h6H,12H2,1-5H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 23422407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).