2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid

C18H19NO2 — CID 143394001

IUPAC2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
SMILESCNC(Cc1cccc(/C=C\c2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H19NO2/c1-19-17(18(20)21)13-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3,(H,20,21)/b11-10-
InChIKeyIVFIDFQXKQINIF-KHPPLWFESA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds6

About 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid

2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid (PubChem CID 143394001) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
PubChem CID143394001
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
SMILESCNC(Cc1cccc(/C=C\c2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H19NO2/c1-19-17(18(20)21)13-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3,(H,20,21)/b11-10-
InChIKeyIVFIDFQXKQINIF-KHPPLWFESA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene
CID 146834185
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145
2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
CID 175376493
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid (CID 143394001) is 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid is CNC(Cc1cccc(/C=C\c2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid?
The InChIKey is IVFIDFQXKQINIF-KHPPLWFESA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-17(18(20)21)13-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3,(H,20,21)/b11-10-.
What are the key properties of 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid?
2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid is sourced from PubChem (CID 143394001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).