2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid

C19H20FNO3 — CID 119197019

IUPAC2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-14(16-7-9-17(20)10-8-16)11-18(22)21(13-19(23)24)12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24)
InChIKeyTTWRTGUQWRFTJN-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.43
Rot. Bonds7

About 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid

2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid (PubChem CID 119197019) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
PubChem CID119197019
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-14(16-7-9-17(20)10-8-16)11-18(22)21(13-19(23)24)12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24)
InChIKeyTTWRTGUQWRFTJN-UHFFFAOYSA-N
XLogP3.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839143
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-[benzyl(4,4-dimethylpentanoyl)amino]acetic acid
CID 119196880
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
(2S)-2-[3-(4-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119366490
4-[3-(4-fluorophenyl)butanoylamino]-5-phenylpentanoic acid
CID 120546910

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid (CID 119197019) is 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid is CC(CC(=O)N(CC(=O)O)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid?
The InChIKey is TTWRTGUQWRFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-14(16-7-9-17(20)10-8-16)11-18(22)21(13-19(23)24)12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24).
What are the key properties of 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid?
2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid has a molecular weight of 329.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).