2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid

C17H24FNO3 — CID 86814558

IUPAC2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC(C)Cc1cccc(F)c1
InChIInChI=1S/C17H24FNO3/c1-12(2)10-19(11-17(21)22)16(20)8-13(3)7-14-5-4-6-15(18)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyRNLJOIMOPDVKKE-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.96
Rot. Bonds8

About 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid

2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 86814558) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID86814558
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC(C)Cc1cccc(F)c1
InChIInChI=1S/C17H24FNO3/c1-12(2)10-19(11-17(21)22)16(20)8-13(3)7-14-5-4-6-15(18)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyRNLJOIMOPDVKKE-UHFFFAOYSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 124882902
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359285
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[tert-butyl-[1-(3-fluorophenyl)propan-2-yl]amino]acetic acid
CID 114834825
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190073
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
(2S)-2-[[(2-carboxy-2-hydroxyethyl)-(2-methylpropyl)carbamoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 70259214

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid (CID 86814558) is 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CC(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is RNLJOIMOPDVKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-12(2)10-19(11-17(21)22)16(20)8-13(3)7-14-5-4-6-15(18)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid?
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 309.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 86814558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).