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

C10H15F3N2O3 — CID 171930235

IUPAC(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.C2HF3O2/c11-8(10-7-1-2-7)6-3-4-9-5-6;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)/t6-;/m0./s1
InChIKeyIOXTWOZEUURINY-RGMNGODLSA-N
MW268.23 g/mol
LogP0.51
Rot. Bonds2

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

(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171930235) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171930235
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.C2HF3O2/c11-8(10-7-1-2-7)6-3-4-9-5-6;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)/t6-;/m0./s1
InChIKeyIOXTWOZEUURINY-RGMNGODLSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 103811764
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
N-(1-cyclohexylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 119895220

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171930235) is (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)[C@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IOXTWOZEUURINY-RGMNGODLSA-N. The full InChI is InChI=1S/C8H14N2O.C2HF3O2/c11-8(10-7-1-2-7)6-3-4-9-5-6;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)/t6-;/m0./s1.
What are the key properties of (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171930235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).