2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid

C17H25NO2 — CID 122127498

IUPAC2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid
SMILESCC(C)(CCNC1CC(C)(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-16(2,15(19)20)9-10-18-14-11-17(3,12-14)13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,19,20)
InChIKeyIFDLLTQLHLXLLR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.20
Rot. Bonds6

About 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid

2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid (PubChem CID 122127498) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid
PubChem CID122127498
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid
SMILESCC(C)(CCNC1CC(C)(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-16(2,15(19)20)9-10-18-14-11-17(3,12-14)13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,19,20)
InChIKeyIFDLLTQLHLXLLR-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid (CID 122127498) is 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid is CC(C)(CCNC1CC(C)(c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid?
The InChIKey is IFDLLTQLHLXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,15(19)20)9-10-18-14-11-17(3,12-14)13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,19,20).
What are the key properties of 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid?
2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid is sourced from PubChem (CID 122127498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).