2-amino-2-(3-methylphenyl)butanoic acid

C11H15NO2 — CID 83698226

IUPAC2-amino-2-(3-methylphenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-5-8(2)7-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyGTXFTCXCMUOIRZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-2-(3-methylphenyl)butanoic acid

2-amino-2-(3-methylphenyl)butanoic acid (PubChem CID 83698226) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-2-(3-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-methylphenyl)butanoic acid
PubChem CID83698226
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-amino-2-(3-methylphenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-5-8(2)7-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyGTXFTCXCMUOIRZ-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-ethoxycarbonyl-2-(3-methylphenyl)hexanoic acid
CID 103974851
1-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
4-amino-4-phenylhexan-3-one
CID 67459117
3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylphenyl)butanoic acid?
The IUPAC name of 2-amino-2-(3-methylphenyl)butanoic acid (CID 83698226) is 2-amino-2-(3-methylphenyl)butanoic acid.
What is the SMILES notation for 2-amino-2-(3-methylphenyl)butanoic acid?
The canonical SMILES for 2-amino-2-(3-methylphenyl)butanoic acid is CCC(N)(C(=O)O)c1cccc(C)c1.
What is the InChIKey of 2-amino-2-(3-methylphenyl)butanoic acid?
The InChIKey is GTXFTCXCMUOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-5-8(2)7-9/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(3-methylphenyl)butanoic acid?
2-amino-2-(3-methylphenyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylphenyl)butanoic acid is sourced from PubChem (CID 83698226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).