2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid

C12H24N2O3 — CID 55007733

IUPAC2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCC(C)(C)NC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(3,4)13-10(15)8-14(5)7-9(2)11(16)17/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17)
InChIKeyNCTBUGOBPXOGSP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.94
Rot. Bonds7

About 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 55007733) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID55007733
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCC(C)(C)NC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(3,4)13-10(15)8-14(5)7-9(2)11(16)17/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17)
InChIKeyNCTBUGOBPXOGSP-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442688
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007638
3-[2,2-diethylbutyl(methyl)amino]-2-methylpropanoic acid
CID 122047170
2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
CID 82938261
(2S)-3,3-dimethyl-2-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61187872
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 55007746
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
CID 82111352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid (CID 55007733) is 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid is CCC(C)(C)NC(=O)CN(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is NCTBUGOBPXOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(3,4)13-10(15)8-14(5)7-9(2)11(16)17/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 55007733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).