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

ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
2-(2-bromopropanoylamino)-2-methylpropanoic acid
CID 22253670
2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 11312683
2-amino-N-(2-methylpropan-2-yl)propanamide
CID 91485736
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 10649464
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 22253669
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
CID 134542231

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).