2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid

C19H25F3N2O2 — CID 91527017

IUPAC2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC[C@H](N(Cc2cccc(C(F)(F)F)c2)C2CCCC2)C1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-5-3-4-14(10-15)11-24(16-6-1-2-7-16)17-8-9-23(12-17)13-18(25)26/h3-5,10,16-17H,1-2,6-9,11-13H2,(H,25,26)/t17-/m0/s1
InChIKeyQCFQTIAUEZOMGA-KRWDZBQOSA-N
MW370.42 g/mol
LogP3.61
Rot. Bonds6

About 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid

2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid (PubChem CID 91527017) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid
PubChem CID91527017
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC[C@H](N(Cc2cccc(C(F)(F)F)c2)C2CCCC2)C1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-5-3-4-14(10-15)11-24(16-6-1-2-7-16)17-8-9-23(12-17)13-18(25)26/h3-5,10,16-17H,1-2,6-9,11-13H2,(H,25,26)/t17-/m0/s1
InChIKeyQCFQTIAUEZOMGA-KRWDZBQOSA-N
XLogP3.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid (CID 91527017) is 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid is O=C(O)CN1CC[C@H](N(Cc2cccc(C(F)(F)F)c2)C2CCCC2)C1.
What is the InChIKey of 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid?
The InChIKey is QCFQTIAUEZOMGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)15-5-3-4-14(10-15)11-24(16-6-1-2-7-16)17-8-9-23(12-17)13-18(25)26/h3-5,10,16-17H,1-2,6-9,11-13H2,(H,25,26)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid?
2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid has a molecular weight of 370.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 91527017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).