5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid

C17H23F3N2O3 — CID 122009996

IUPAC5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC(CC(F)(F)F)NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H23F3N2O3/c1-2-13(11-17(18,19)20)21-16(25)22-14(8-9-15(23)24)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyARLUAHSQYUXYHE-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.49
Rot. Bonds9

About 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid

5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid (PubChem CID 122009996) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
PubChem CID122009996
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC(CC(F)(F)F)NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H23F3N2O3/c1-2-13(11-17(18,19)20)21-16(25)22-14(8-9-15(23)24)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyARLUAHSQYUXYHE-UHFFFAOYSA-N
XLogP3.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]pentanoic acid
CID 122085886
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[3-(1,1-difluoroethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122090873
4-(1-hydroxybut-3-en-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027620
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid (CID 122009996) is 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid is CCC(CC(F)(F)F)NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is ARLUAHSQYUXYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-2-13(11-17(18,19)20)21-16(25)22-14(8-9-15(23)24)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid?
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 360.38 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 122009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).