2-(aminomethyl)-3-phenylbutanoic acid

C11H15NO2 — CID 69267267

IUPAC2-(aminomethyl)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(CN)C(=O)O
InChIInChI=1S/C11H15NO2/c1-8(10(7-12)11(13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)
InChIKeyZTLGHSSCDMNZSN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds4

About 2-(aminomethyl)-3-phenylbutanoic acid

2-(aminomethyl)-3-phenylbutanoic acid (PubChem CID 69267267) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-phenylbutanoic acid
PubChem CID69267267
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(aminomethyl)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(CN)C(=O)O
InChIInChI=1S/C11H15NO2/c1-8(10(7-12)11(13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)
InChIKeyZTLGHSSCDMNZSN-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3-methylphenyl)butanoic acid
CID 69268782
2-(1-phenylethyl)butanedioic acid
CID 2837676
2-fluoro-3-phenylbutan-1-amine
CID 126843894
2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
(2S,3S)-2-(benzylsulfonylmethyl)-3-phenylbutanoic acid
CID 10336874
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 67209959
4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 67209446
2-methyl-3-phenylbutanoic acid
CID 29759
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-phenylacetic acid
CID 65227274
(2S,3R)-2-(aminomethyl)-3-phenylbutan-1-ol
CID 99963418
dimethyl 2-(1-phenylethyl)butanedioate
CID 53348868

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-phenylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-3-phenylbutanoic acid (CID 69267267) is 2-(aminomethyl)-3-phenylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-phenylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-phenylbutanoic acid is CC(c1ccccc1)C(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-phenylbutanoic acid?
The InChIKey is ZTLGHSSCDMNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(10(7-12)11(13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-phenylbutanoic acid?
2-(aminomethyl)-3-phenylbutanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-phenylbutanoic acid is sourced from PubChem (CID 69267267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).