3-[benzoyl(1-phenylethyl)amino]propanoic acid

C18H19NO3 — CID 82324526

IUPAC3-[benzoyl(1-phenylethyl)amino]propanoic acid
SMILESCC(c1ccccc1)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(15-8-4-2-5-9-15)19(13-12-17(20)21)18(22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21)
InChIKeyGXTSIEOZTOAMNJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.36
Rot. Bonds6

About 3-[benzoyl(1-phenylethyl)amino]propanoic acid

3-[benzoyl(1-phenylethyl)amino]propanoic acid (PubChem CID 82324526) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[benzoyl(1-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzoyl(1-phenylethyl)amino]propanoic acid
PubChem CID82324526
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[benzoyl(1-phenylethyl)amino]propanoic acid
SMILESCC(c1ccccc1)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(15-8-4-2-5-9-15)19(13-12-17(20)21)18(22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21)
InChIKeyGXTSIEOZTOAMNJ-UHFFFAOYSA-N
XLogP3.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
CID 82324538
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride
CID 138396549
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[2-carboxyethyl(1-phenylethyl)amino]-3-methylbutanoic acid
CID 82328445
4-ethyl-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-[(1S)-1-phenylethyl]benzamide
CID 93097282
1-phenylethyl(propyl)carbamic acid
CID 57360234
3-[carboxy-[carboxy(phenyl)methyl]amino]propanoic acid
CID 126650108

Frequently Asked Questions

What is the IUPAC name of 3-[benzoyl(1-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[benzoyl(1-phenylethyl)amino]propanoic acid (CID 82324526) is 3-[benzoyl(1-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzoyl(1-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[benzoyl(1-phenylethyl)amino]propanoic acid is CC(c1ccccc1)N(CCC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 3-[benzoyl(1-phenylethyl)amino]propanoic acid?
The InChIKey is GXTSIEOZTOAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(15-8-4-2-5-9-15)19(13-12-17(20)21)18(22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21).
What are the key properties of 3-[benzoyl(1-phenylethyl)amino]propanoic acid?
3-[benzoyl(1-phenylethyl)amino]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzoyl(1-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).