2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid

C14H21NO2 — CID 150425613

IUPAC2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
SMILESCc1cccc(C(C)CC(C)(N)C(=O)O)c1C
InChIInChI=1S/C14H21NO2/c1-9-6-5-7-12(11(9)3)10(2)8-14(4,15)13(16)17/h5-7,10H,8,15H2,1-4H3,(H,16,17)
InChIKeyHIROFPQYMKGBAF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid

2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid (PubChem CID 150425613) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
PubChem CID150425613
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
SMILESCc1cccc(C(C)CC(C)(N)C(=O)O)c1C
InChIInChI=1S/C14H21NO2/c1-9-6-5-7-12(11(9)3)10(2)8-14(4,15)13(16)17/h5-7,10H,8,15H2,1-4H3,(H,16,17)
InChIKeyHIROFPQYMKGBAF-UHFFFAOYSA-N
XLogP2.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
CID 151596439
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 151193828
5-(2,3-dimethylphenyl)hexanoic acid
CID 68852167
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
CID 68716291
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid
CID 151267584

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid (CID 150425613) is 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid is Cc1cccc(C(C)CC(C)(N)C(=O)O)c1C.
What is the InChIKey of 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid?
The InChIKey is HIROFPQYMKGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-5-7-12(11(9)3)10(2)8-14(4,15)13(16)17/h5-7,10H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid?
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid is sourced from PubChem (CID 150425613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).