(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide

C17H20FN3O2 — CID 75529661

IUPAC(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c1-3-10-20-16(22)14-9-6-11-21(14)15(17(23)19-2)12-7-4-5-8-13(12)18/h1,4-5,7-8,14-15H,6,9-11H2,2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyZFCDVCGVAXFNMW-LSDHHAIUSA-N
MW317.36 g/mol
LogP0.83
Rot. Bonds5

About (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide (PubChem CID 75529661) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
PubChem CID75529661
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c1-3-10-20-16(22)14-9-6-11-21(14)15(17(23)19-2)12-7-4-5-8-13(12)18/h1,4-5,7-8,14-15H,6,9-11H2,2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyZFCDVCGVAXFNMW-LSDHHAIUSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide;hydrochloride
CID 146119422
1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 163063879
(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75411442
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 75411518
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279
(2S)-N-benzyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529687
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 146119399
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide (CID 75529661) is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide is C#CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1F.
What is the InChIKey of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide?
The InChIKey is ZFCDVCGVAXFNMW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-10-20-16(22)14-9-6-11-21(14)15(17(23)19-2)12-7-4-5-8-13(12)18/h1,4-5,7-8,14-15H,6,9-11H2,2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).