4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid

C16H23FN2O3 — CID 122015478

IUPAC4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
SMILESCC(F)CCNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23FN2O3/c1-12(17)9-10-18-16(22)19-14(7-8-15(20)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyGWHBBOSCVBCSCC-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.51
Rot. Bonds9

About 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid

4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid (PubChem CID 122015478) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
PubChem CID122015478
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
SMILESCC(F)CCNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23FN2O3/c1-12(17)9-10-18-16(22)19-14(7-8-15(20)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyGWHBBOSCVBCSCC-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[2-(4-fluorophenyl)-2-hydroxypropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122028240

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid (CID 122015478) is 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid is CC(F)CCNC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid?
The InChIKey is GWHBBOSCVBCSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12(17)9-10-18-16(22)19-14(7-8-15(20)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid?
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid has a molecular weight of 310.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122015478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).