2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid

C15H25NO6 — CID 174393301

IUPAC2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.CCC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H13NO3.C6H6O.C3H6O2/c1-6(2,3-8)4(7)5(9)10;7-6-4-2-1-3-5-6;1-2-3(4)5/h4,8H,3,7H2,1-2H3,(H,9,10);1-5,7H;2H2,1H3,(H,4,5)
InChIKeyLZHKTOGFLJHKRG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid (PubChem CID 174393301) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
PubChem CID174393301
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.CCC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H13NO3.C6H6O.C3H6O2/c1-6(2,3-8)4(7)5(9)10;7-6-4-2-1-3-5-6;1-2-3(4)5/h4,8H,3,7H2,1-2H3,(H,9,10);1-5,7H;2H2,1H3,(H,4,5)
InChIKeyLZHKTOGFLJHKRG-UHFFFAOYSA-N
XLogP1.29
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;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

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
CID 159816827
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
CID 174434996
benzene-1,2-diol;ethanol;propanoic acid
CID 174978263
phenol;propanoyl chloride
CID 174946561
zinc;phenol;propanoate
CID 174753936
(2R)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid
CID 3246108
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
benzene;phenol;propane
CID 157176896
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid
CID 174310964
benzene-1,2-diamine;propanoic acid
CID 158630762

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid (CID 174393301) is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid is CC(C)(CO)C(N)C(=O)O.CCC(=O)O.Oc1ccccc1.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid?
The InChIKey is LZHKTOGFLJHKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C6H6O.C3H6O2/c1-6(2,3-8)4(7)5(9)10;7-6-4-2-1-3-5-6;1-2-3(4)5/h4,8H,3,7H2,1-2H3,(H,9,10);1-5,7H;2H2,1H3,(H,4,5).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid?
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid has a molecular weight of 315.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid is sourced from PubChem (CID 174393301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).