2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 79811560

IUPAC2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(C)(N)CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-11(5,12)8(14)13(7-2)10(3,4)9(15)16/h6-7,12H2,1-5H3,(H,15,16)
InChIKeyBTKVRDYJYHMDJK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid

2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 79811560) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
PubChem CID79811560
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(C)(N)CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-11(5,12)8(14)13(7-2)10(3,4)9(15)16/h6-7,12H2,1-5H3,(H,15,16)
InChIKeyBTKVRDYJYHMDJK-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870863
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
CID 114873698
2-amino-N-(2,2-dimethylpropyl)-N,2-dimethylbutanamide
CID 79811320
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818406
2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid
CID 79811094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid (CID 79811560) is 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid is CCN(C(=O)C(C)(N)CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is BTKVRDYJYHMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-11(5,12)8(14)13(7-2)10(3,4)9(15)16/h6-7,12H2,1-5H3,(H,15,16).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid?
2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79811560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).