(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 171924997

IUPAC(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCC1)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c13-10(8-5-6-11-7-8)12-9-3-1-2-4-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2,(H,12,13);(H,6,7)/t8-;/m0./s1
InChIKeyIHVVGBGWHAOTJS-QRPNPIFTSA-N
MW296.29 g/mol
LogP1.29
Rot. Bonds2

About (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171924997) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171924997
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCC1)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c13-10(8-5-6-11-7-8)12-9-3-1-2-4-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2,(H,12,13);(H,6,7)/t8-;/m0./s1
InChIKeyIHVVGBGWHAOTJS-QRPNPIFTSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171924997) is (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCCC1)[C@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IHVVGBGWHAOTJS-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c13-10(8-5-6-11-7-8)12-9-3-1-2-4-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2,(H,12,13);(H,6,7)/t8-;/m0./s1.
What are the key properties of (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171924997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).