[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate

C19H25F3N2O2 — CID 69062535

IUPAC[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate
SMILESCC(=O)ON1CC[C@H](N(Cc2ccc(C(F)(F)F)cc2)C2CCCC2)C1
InChIInChI=1S/C19H25F3N2O2/c1-14(25)26-23-11-10-18(13-23)24(17-4-2-3-5-17)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,17-18H,2-5,10-13H2,1H3/t18-/m0/s1
InChIKeyMQEUIQRRSALKMN-SFHVURJKSA-N
MW370.42 g/mol
LogP4.00
Rot. Bonds5

About [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate

[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate (PubChem CID 69062535) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate.

Molecular Properties

Compound Name[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate
PubChem CID69062535
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate
SMILESCC(=O)ON1CC[C@H](N(Cc2ccc(C(F)(F)F)cc2)C2CCCC2)C1
InChIInChI=1S/C19H25F3N2O2/c1-14(25)26-23-11-10-18(13-23)24(17-4-2-3-5-17)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,17-18H,2-5,10-13H2,1H3/t18-/m0/s1
InChIKeyMQEUIQRRSALKMN-SFHVURJKSA-N
XLogP4.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate with MolForge

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Related Compounds

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 57164663
N-methyl-N-{4-[1-(pyrrolidin-1-yl)ethyl]benzyl}acetamide trifluoroacetate
CID 67331193
tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]-N-(3,3,3-trifluoropropyl)carbamate
CID 68253698
acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69059262
[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate
CID 69059267
acetic acid;(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062534
[[(3S)-pyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino] propanoate
CID 90905789
2-[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid
CID 91415542
2-[(3S)-3-[cyclopentyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl]acetic acid
CID 91527017
(3S)-1-benzylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 132141970
1-Benzylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 132141972
N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide
CID 141137869

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate?
The IUPAC name of [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate (CID 69062535) is [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate.
What is the SMILES notation for [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate?
The canonical SMILES for [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate is CC(=O)ON1CC[C@H](N(Cc2ccc(C(F)(F)F)cc2)C2CCCC2)C1.
What is the InChIKey of [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate?
The InChIKey is MQEUIQRRSALKMN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-14(25)26-23-11-10-18(13-23)24(17-4-2-3-5-17)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,17-18H,2-5,10-13H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate?
[(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate has a molecular weight of 370.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[cyclopentyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolidin-1-yl] acetate is sourced from PubChem (CID 69062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).