2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid

C13H25NO3 — CID 62625837

IUPAC2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(C)C(C)C(=O)O)CC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(8-13(3,4)5)7-11(15)14(6)10(2)12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyFAUJZOAVEVWGGA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.38
Rot. Bonds5

About 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid

2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid (PubChem CID 62625837) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
PubChem CID62625837
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(C)C(C)C(=O)O)CC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(8-13(3,4)5)7-11(15)14(6)10(2)12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyFAUJZOAVEVWGGA-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
CID 97233974
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
CID 106441524
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256717
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
CID 5484103
CID 5484103
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
(2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoic acid
CID 145294959
(3R)-3,5,5-trimethylhexanoyl chloride
CID 7171810

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid (CID 62625837) is 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid is CC(CC(=O)N(C)C(C)C(=O)O)CC(C)(C)C.
What is the InChIKey of 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid?
The InChIKey is FAUJZOAVEVWGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(8-13(3,4)5)7-11(15)14(6)10(2)12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid?
2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid is sourced from PubChem (CID 62625837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).