4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid

C11H21NO3 — CID 114629226

IUPAC4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO3/c1-7(4-5-10(14)15)12-8-6-9(13)11(8,2)3/h7-9,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyCFYOPHONIBVQEJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds5

About 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid

4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid (PubChem CID 114629226) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
PubChem CID114629226
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO3/c1-7(4-5-10(14)15)12-8-6-9(13)11(8,2)3/h7-9,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyCFYOPHONIBVQEJ-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
CID 103267221
2,2-dimethyl-3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutan-1-ol
CID 112633726
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
CID 114629453
2-(butan-2-ylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629653
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid (CID 114629226) is 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid is CC(CCC(=O)O)NC1CC(O)C1(C)C.
What is the InChIKey of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid?
The InChIKey is CFYOPHONIBVQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(4-5-10(14)15)12-8-6-9(13)11(8,2)3/h7-9,12-13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid?
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid is sourced from PubChem (CID 114629226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).