4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid

C17H27NO2 — CID 65298529

IUPAC4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
SMILESCc1c(C)c(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C17H27NO2/c1-9-10(2)12(4)15(13(5)11(9)3)14(18)8-17(6,7)16(19)20/h14H,8,18H2,1-7H3,(H,19,20)
InChIKeyRKLSUUDFRBDCRB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.73
Rot. Bonds4

About 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid

4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid (PubChem CID 65298529) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
PubChem CID65298529
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
SMILESCc1c(C)c(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C17H27NO2/c1-9-10(2)12(4)15(13(5)11(9)3)14(18)8-17(6,7)16(19)20/h14H,8,18H2,1-7H3,(H,19,20)
InChIKeyRKLSUUDFRBDCRB-UHFFFAOYSA-N
XLogP3.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 106879109
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
4-amino-2,2-dimethylhexanoic acid
CID 91454797
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
2,2,4-trimethylhexanoic acid
CID 15564208
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
4-amino-4-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylbutanoic acid
CID 65297326
(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride
CID 171232942

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid?
The IUPAC name of 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid (CID 65298529) is 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid is Cc1c(C)c(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1C.
What is the InChIKey of 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid?
The InChIKey is RKLSUUDFRBDCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-9-10(2)12(4)15(13(5)11(9)3)14(18)8-17(6,7)16(19)20/h14H,8,18H2,1-7H3,(H,19,20).
What are the key properties of 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid?
4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid is sourced from PubChem (CID 65298529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).