3-(ethylamino)-2,3-diphenylpropanoic acid

C17H19NO2 — CID 50877823

IUPAC3-(ethylamino)-2,3-diphenylpropanoic acid
SMILESCCNC(c1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-18-16(14-11-7-4-8-12-14)15(17(19)20)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3,(H,19,20)
InChIKeyBFZUIXQQVLSKGV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.21
Rot. Bonds6

About 3-(ethylamino)-2,3-diphenylpropanoic acid

3-(ethylamino)-2,3-diphenylpropanoic acid (PubChem CID 50877823) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(ethylamino)-2,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-2,3-diphenylpropanoic acid
PubChem CID50877823
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(ethylamino)-2,3-diphenylpropanoic acid
SMILESCCNC(c1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-18-16(14-11-7-4-8-12-14)15(17(19)20)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3,(H,19,20)
InChIKeyBFZUIXQQVLSKGV-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
3-ethyl-2-phenylhexanoic acid
CID 143465377
2-phenyl-3-sulfanylbutanoic acid
CID 22460484
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2,3-diphenylpropanoic acid?
The IUPAC name of 3-(ethylamino)-2,3-diphenylpropanoic acid (CID 50877823) is 3-(ethylamino)-2,3-diphenylpropanoic acid.
What is the SMILES notation for 3-(ethylamino)-2,3-diphenylpropanoic acid?
The canonical SMILES for 3-(ethylamino)-2,3-diphenylpropanoic acid is CCNC(c1ccccc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(ethylamino)-2,3-diphenylpropanoic acid?
The InChIKey is BFZUIXQQVLSKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-18-16(14-11-7-4-8-12-14)15(17(19)20)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3,(H,19,20).
What are the key properties of 3-(ethylamino)-2,3-diphenylpropanoic acid?
3-(ethylamino)-2,3-diphenylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2,3-diphenylpropanoic acid is sourced from PubChem (CID 50877823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).