5-(benzylamino)-5-oxo-3-phenylpentanoic acid

C18H19NO3 — CID 70196436

IUPAC5-(benzylamino)-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-14-7-3-1-4-8-14)11-16(12-18(21)22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)
InChIKeyGIKAGDBEJFHVFX-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.95
Rot. Bonds7

About 5-(benzylamino)-5-oxo-3-phenylpentanoic acid

5-(benzylamino)-5-oxo-3-phenylpentanoic acid (PubChem CID 70196436) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-(benzylamino)-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-(benzylamino)-5-oxo-3-phenylpentanoic acid
PubChem CID70196436
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-(benzylamino)-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-14-7-3-1-4-8-14)11-16(12-18(21)22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)
InChIKeyGIKAGDBEJFHVFX-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
N-benzyl-3,4-dihydroxybutanamide
CID 69242116
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
(3R)-3,5-diphenylpentanoic acid
CID 821797
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
3,4-diamino-N-benzylbutanamide
CID 57016843
N-[(1-oxidopyridin-1-ium-3-yl)methyl]-3-phenylpentanamide
CID 138013947
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-(benzylamino)-5-oxo-3-phenylpentanoic acid (CID 70196436) is 5-(benzylamino)-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-(benzylamino)-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-(benzylamino)-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzylamino)-5-oxo-3-phenylpentanoic acid?
The InChIKey is GIKAGDBEJFHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(19-13-14-7-3-1-4-8-14)11-16(12-18(21)22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22).
What are the key properties of 5-(benzylamino)-5-oxo-3-phenylpentanoic acid?
5-(benzylamino)-5-oxo-3-phenylpentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 70196436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).