3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid

C11H21NO3 — CID 114629404

IUPAC3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC1CC(O)C1(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,9(14)15)6-12-7-5-8(13)11(7,3)4/h7-8,12-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyCDCCCADPTHJULM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.85
Rot. Bonds4

About 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 114629404) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
PubChem CID114629404
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC1CC(O)C1(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,9(14)15)6-12-7-5-8(13)11(7,3)4/h7-8,12-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyCDCCCADPTHJULM-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic 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-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488
2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
CID 115977681
3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
CID 79870141
3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104860466
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
CID 112633253
3-[(2,2-difluoro-2-phenylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629614
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114629647
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid (CID 114629404) is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC1CC(O)C1(C)C)C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is CDCCCADPTHJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,9(14)15)6-12-7-5-8(13)11(7,3)4/h7-8,12-13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid?
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114629404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).