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

C10H19NO4 — CID 114629488

IUPAC2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC1CC(O)C1(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2)6(4-7(9)12)11-5-10(3,15)8(13)14/h6-7,11-12,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyZXTZSEANYKZENF-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.43
Rot. Bonds4

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

2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid (PubChem CID 114629488) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
PubChem CID114629488
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC1CC(O)C1(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2)6(4-7(9)12)11-5-10(3,15)8(13)14/h6-7,11-12,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyZXTZSEANYKZENF-UHFFFAOYSA-N
XLogP-0.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
CID 114629404
2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
CID 115977681
3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104860466
3-[(2,2-difluoro-2-phenylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629614
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-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644528
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid (CID 114629488) is 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid is CC(O)(CNC1CC(O)C1(C)C)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid?
The InChIKey is ZXTZSEANYKZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2)6(4-7(9)12)11-5-10(3,15)8(13)14/h6-7,11-12,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).