2-(methylamino)-3-(3-phenylphenyl)propanoic acid

C16H17NO2 — CID 59021845

IUPAC2-(methylamino)-3-(3-phenylphenyl)propanoic acid
SMILESCNC(Cc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO2/c1-17-15(16(18)19)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyOLYWBAXMGREXNW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.57
Rot. Bonds5

About 2-(methylamino)-3-(3-phenylphenyl)propanoic acid

2-(methylamino)-3-(3-phenylphenyl)propanoic acid (PubChem CID 59021845) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(methylamino)-3-(3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-(3-phenylphenyl)propanoic acid
PubChem CID59021845
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(methylamino)-3-(3-phenylphenyl)propanoic acid
SMILESCNC(Cc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO2/c1-17-15(16(18)19)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyOLYWBAXMGREXNW-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
CID 143394001
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
CID 174733531
3-[[3-(3-phenylphenyl)phenyl]methyl]pentane-2,4-dione
CID 70902423
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(3-phenylphenyl)propanoic acid?
The IUPAC name of 2-(methylamino)-3-(3-phenylphenyl)propanoic acid (CID 59021845) is 2-(methylamino)-3-(3-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-(3-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(methylamino)-3-(3-phenylphenyl)propanoic acid is CNC(Cc1cccc(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-(3-phenylphenyl)propanoic acid?
The InChIKey is OLYWBAXMGREXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-15(16(18)19)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-(methylamino)-3-(3-phenylphenyl)propanoic acid?
2-(methylamino)-3-(3-phenylphenyl)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(3-phenylphenyl)propanoic acid is sourced from PubChem (CID 59021845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).