3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid

C14H27NO4 — CID 66001344

IUPAC3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
SMILESCC(CC(=O)NCC(C)(O)CC(=O)O)CC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(7-13(2,3)4)6-11(16)15-9-14(5,19)8-12(17)18/h10,19H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyNRFMXJCCQVVEMV-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.79
Rot. Bonds7

About 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid

3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid (PubChem CID 66001344) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
PubChem CID66001344
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
SMILESCC(CC(=O)NCC(C)(O)CC(=O)O)CC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(7-13(2,3)4)6-11(16)15-9-14(5,19)8-12(17)18/h10,19H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyNRFMXJCCQVVEMV-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic 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

4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
CID 66003618
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid (CID 66001344) is 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid is CC(CC(=O)NCC(C)(O)CC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid?
The InChIKey is NRFMXJCCQVVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10(7-13(2,3)4)6-11(16)15-9-14(5,19)8-12(17)18/h10,19H,6-9H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid?
3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid is sourced from PubChem (CID 66001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).