3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid

C17H23FN2O4 — CID 119190073

IUPAC3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2O4/c1-12(2)11-20(7-6-17(23)24)16(22)10-19-15(21)9-13-4-3-5-14(18)8-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyZBDKYUNINHEKFG-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.44
Rot. Bonds9

About 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid

3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190073) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190073
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2O4/c1-12(2)11-20(7-6-17(23)24)16(22)10-19-15(21)9-13-4-3-5-14(18)8-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyZBDKYUNINHEKFG-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 71876568
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347441
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983
3-[(3,4-difluorophenyl)methyl-[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119208113
3-[3-fluoro-N-(2-methylpropyl)anilino]propanoic acid
CID 82319254
3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190598
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
CID 86814558
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190073) is 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is ZBDKYUNINHEKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-12(2)11-20(7-6-17(23)24)16(22)10-19-15(21)9-13-4-3-5-14(18)8-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 338.38 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).