2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid

C17H19NO2 — CID 138535573

IUPAC2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
SMILESCc1c(-c2ccccc2)cccc1C(C)C(N)C(=O)O
InChIInChI=1S/C17H19NO2/c1-11-14(12(2)16(18)17(19)20)9-6-10-15(11)13-7-4-3-5-8-13/h3-10,12,16H,18H2,1-2H3,(H,19,20)
InChIKeyQACCBYMPRHEQBH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.18
Rot. Bonds4

About 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid

2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid (PubChem CID 138535573) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
PubChem CID138535573
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
SMILESCc1c(-c2ccccc2)cccc1C(C)C(N)C(=O)O
InChIInChI=1S/C17H19NO2/c1-11-14(12(2)16(18)17(19)20)9-6-10-15(11)13-7-4-3-5-8-13/h3-10,12,16H,18H2,1-2H3,(H,19,20)
InChIKeyQACCBYMPRHEQBH-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
CID 67119213
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
CID 168884973
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
CID 146007388
2-methyl-3-phenylaniline
CID 10511683
2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid
CID 138535549

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid?
The IUPAC name of 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid (CID 138535573) is 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid?
The canonical SMILES for 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid is Cc1c(-c2ccccc2)cccc1C(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid?
The InChIKey is QACCBYMPRHEQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-14(12(2)16(18)17(19)20)9-6-10-15(11)13-7-4-3-5-8-13/h3-10,12,16H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid?
2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid is sourced from PubChem (CID 138535573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).