3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid

C12H23NO3 — CID 63833569

IUPAC3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(12(2,3)4)8-10(14)13(5)7-6-11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyUZGFMXJLVWSQGI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.99
Rot. Bonds5

About 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid

3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid (PubChem CID 63833569) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
PubChem CID63833569
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(12(2,3)4)8-10(14)13(5)7-6-11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyUZGFMXJLVWSQGI-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
CID 63832684
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793
N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide
CID 107205672
3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 63832512
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 55260518
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid (CID 63833569) is 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid is CC(CC(=O)N(C)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The InChIKey is UZGFMXJLVWSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(12(2,3)4)8-10(14)13(5)7-6-11(15)16/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 63833569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).