4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid

C16H21FN2O4 — CID 119357551

IUPAC4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O4/c1-16(2,9-7-14(21)22)19-13(20)8-10-18-15(23)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyZJHMOEURAHYGOT-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.71
Rot. Bonds8

About 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid

4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid (PubChem CID 119357551) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
PubChem CID119357551
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O4/c1-16(2,9-7-14(21)22)19-13(20)8-10-18-15(23)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyZJHMOEURAHYGOT-UHFFFAOYSA-N
XLogP1.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-fluorobenzoyl)amino]butanoylamino]-4-methylpentanoic acid
CID 119204694
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 43391483
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid (CID 119357551) is 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The InChIKey is ZJHMOEURAHYGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-16(2,9-7-14(21)22)19-13(20)8-10-18-15(23)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid has a molecular weight of 324.35 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119357551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).