3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid

C16H18F3NO3 — CID 119177258

IUPAC3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)12-5-3-4-11(10-12)15(7-1-2-8-15)14(23)20-9-6-13(21)22/h3-5,10H,1-2,6-9H2,(H,20,23)(H,21,22)
InChIKeyGOZSMRGBTQLMMU-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.11
Rot. Bonds5

About 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid

3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 119177258) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
PubChem CID119177258
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)12-5-3-4-11(10-12)15(7-1-2-8-15)14(23)20-9-6-13(21)22/h3-5,10H,1-2,6-9H2,(H,20,23)(H,21,22)
InChIKeyGOZSMRGBTQLMMU-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 51123307
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51091401
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
methyl (E)-5-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]pent-2-enoate
CID 146099987
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
1-phenyl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexane-1-carboxamide
CID 70554669

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid (CID 119177258) is 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is GOZSMRGBTQLMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-16(18,19)12-5-3-4-11(10-12)15(7-1-2-8-15)14(23)20-9-6-13(21)22/h3-5,10H,1-2,6-9H2,(H,20,23)(H,21,22).
What are the key properties of 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid?
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 329.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119177258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).