2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid

C18H29NO2 — CID 151766679

IUPAC2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
SMILESCc1cc(C)c(CCCC(C)CC(C)(N)C(=O)O)c(C)c1
InChIInChI=1S/C18H29NO2/c1-12(11-18(5,19)17(20)21)7-6-8-16-14(3)9-13(2)10-15(16)4/h9-10,12H,6-8,11,19H2,1-5H3,(H,20,21)
InChIKeyRRSMFRBRBRCBGK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds7

About 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid

2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid (PubChem CID 151766679) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
PubChem CID151766679
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
SMILESCc1cc(C)c(CCCC(C)CC(C)(N)C(=O)O)c(C)c1
InChIInChI=1S/C18H29NO2/c1-12(11-18(5,19)17(20)21)7-6-8-16-14(3)9-13(2)10-15(16)4/h9-10,12H,6-8,11,19H2,1-5H3,(H,20,21)
InChIKeyRRSMFRBRBRCBGK-UHFFFAOYSA-N
XLogP3.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid?
The IUPAC name of 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid (CID 151766679) is 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid.
What is the SMILES notation for 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid?
The canonical SMILES for 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid is Cc1cc(C)c(CCCC(C)CC(C)(N)C(=O)O)c(C)c1.
What is the InChIKey of 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid?
The InChIKey is RRSMFRBRBRCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(11-18(5,19)17(20)21)7-6-8-16-14(3)9-13(2)10-15(16)4/h9-10,12H,6-8,11,19H2,1-5H3,(H,20,21).
What are the key properties of 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid?
2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid has a molecular weight of 291.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid is sourced from PubChem (CID 151766679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).