(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide

C8H13F3N2O2 — CID 103795786

IUPAC(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-2-1-3-12-5/h5-6,12,14H,1-4H2,(H,13,15)/t5-,6?/m0/s1
InChIKeyQHSYKZAPDWXLMS-ZBHICJROSA-N
MW226.20 g/mol
LogP-0.22
Rot. Bonds3

About (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide

(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 103795786) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID103795786
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-2-1-3-12-5/h5-6,12,14H,1-4H2,(H,13,15)/t5-,6?/m0/s1
InChIKeyQHSYKZAPDWXLMS-ZBHICJROSA-N
XLogP-0.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
N-(3-amino-2-hydroxy-3-oxopropyl)pyrrolidine-2-carboxamide
CID 106175824
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 102953523
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide (CID 103795786) is (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide is O=C(NCC(O)C(F)(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is QHSYKZAPDWXLMS-ZBHICJROSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-2-1-3-12-5/h5-6,12,14H,1-4H2,(H,13,15)/t5-,6?/m0/s1.
What are the key properties of (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).