2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid

C12H23NO3 — CID 120687256

IUPAC2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-8(11(15)16)7-13(6)10(14)9(2)12(3,4)5/h8-9H,7H2,1-6H3,(H,15,16)
InChIKeyGUAVBBMBVREKJH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid

2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid (PubChem CID 120687256) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
PubChem CID120687256
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-8(11(15)16)7-13(6)10(14)9(2)12(3,4)5/h8-9H,7H2,1-6H3,(H,15,16)
InChIKeyGUAVBBMBVREKJH-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid
CID 122111670
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
CID 82111352
3-[2-ethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 55007969
3-[5,5-dimethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228445
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 79386168
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 106703400
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072
2-methyl-3-[methyl-[2-[4-(2-methylpropanoyl)phenyl]propanoyl]amino]propanoic acid
CID 122111437
3-[3-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 55008397
3-[2-anilinobutanoyl(methyl)amino]-2-methylpropanoic acid
CID 166239589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid (CID 120687256) is 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid is CC(CN(C)C(=O)C(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid?
The InChIKey is GUAVBBMBVREKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(11(15)16)7-13(6)10(14)9(2)12(3,4)5/h8-9H,7H2,1-6H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid?
2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 120687256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).