2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid

C14H21NO2 — CID 106488584

IUPAC2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
SMILESCC(C)C(CN)(CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-11(2)14(10-15,13(16)17)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVQJIDWSHWNDBDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid

2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid (PubChem CID 106488584) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
PubChem CID106488584
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
SMILESCC(C)C(CN)(CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-11(2)14(10-15,13(16)17)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVQJIDWSHWNDBDU-UHFFFAOYSA-N
XLogP2.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid
CID 106488438
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491
ethyl 2-(aminomethyl)-2-benzyl-3-methylbutanoate
CID 106488665
3-(aminomethyl)-3-methyl-5-phenylpentanoic acid
CID 66097262
(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid
CID 150545775
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
CID 106488473
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
2-[acetyl(propan-2-yl)amino]-2-methyl-4-phenylbutanoic acid
CID 63703801
2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 106488509

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid (CID 106488584) is 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid is CC(C)C(CN)(CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid?
The InChIKey is VQJIDWSHWNDBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)14(10-15,13(16)17)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid?
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid is sourced from PubChem (CID 106488584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).