2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid

C13H24N2O4 — CID 62818946

IUPAC2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CNC(=O)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-7-15(13(5,6)11(18)19)9(16)8-14-10(17)12(2,3)4/h7-8H2,1-6H3,(H,14,17)(H,18,19)
InChIKeyUJYJZFAAYQZTQS-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.86
Rot. Bonds5

About 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62818946) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62818946
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CNC(=O)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-7-15(13(5,6)11(18)19)9(16)8-14-10(17)12(2,3)4/h7-8H2,1-6H3,(H,14,17)(H,18,19)
InChIKeyUJYJZFAAYQZTQS-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ala-Ala-Ala
CID 5478845
Alanyl-alanyl-alanyl-alanine
CID 5478846
Glycyl-alanyl-valine
CID 129439
H-Ala-Ala-Ala-Ala-Ala-OH
CID 5478841
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468
L-Alanylglycylglycylglycine
CID 6427055
Ala-Ala-Gly
CID 7010590
2-[Propyl-[2-[propyl-[2-(propylamino)acetyl]amino]acetyl]amino]acetic acid
CID 44291613
(2S)-2-[[2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetyl]amino]propanoic acid
CID 44448460
H-Ala-Ala-D-Ala-OH
CID 111104
Glycyl-glycyl-valine
CID 193555
Acetylalanylalanine
CID 5488264

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid (CID 62818946) is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)CNC(=O)C(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is UJYJZFAAYQZTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-7-15(13(5,6)11(18)19)9(16)8-14-10(17)12(2,3)4/h7-8H2,1-6H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).