(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide

C14H17FN2O3 — CID 120965400

IUPAC(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17FN2O3/c15-11-6-12(14(16)19)17(7-11)13(18)9-20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19)/t11-,12+/m1/s1
InChIKeyBQHIJTOVHKYRKK-NEPJUHHUSA-N
MW280.30 g/mol
LogP0.63
Rot. Bonds5

About (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 120965400) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID120965400
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17FN2O3/c15-11-6-12(14(16)19)17(7-11)13(18)9-20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19)/t11-,12+/m1/s1
InChIKeyBQHIJTOVHKYRKK-NEPJUHHUSA-N
XLogP0.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965340
(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965503
(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
CID 120965444
(3S,4S)-1-(2-phenylmethoxyacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949528
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 129352286
(2S,4R)-4-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 120965538
benzyl (2S,4R)-4-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 134302862
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 120965571
1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
CID 146134011

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide (CID 120965400) is (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCc1ccccc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is BQHIJTOVHKYRKK-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-6-12(14(16)19)17(7-11)13(18)9-20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).