3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid

C17H20N2O2 — CID 174234287

IUPAC3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid
SMILESNC(CC(=O)O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-16(12-17(20)21)19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,18H2,(H,20,21)
InChIKeyDMAFOACPFWIGDY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.25
Rot. Bonds7

About 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid

3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid (PubChem CID 174234287) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid
PubChem CID174234287
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid
SMILESNC(CC(=O)O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-16(12-17(20)21)19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,18H2,(H,20,21)
InChIKeyDMAFOACPFWIGDY-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-(4-phenylphenyl)ethyl]urea
CID 115192894
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
(4S)-5-amino-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid
CID 57336493
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid?
The IUPAC name of 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid (CID 174234287) is 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid is NC(CC(=O)O)NCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid?
The InChIKey is DMAFOACPFWIGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-16(12-17(20)21)19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,18H2,(H,20,21).
What are the key properties of 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid?
3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 174234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).