(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide

C11H13FN2O3 — CID 79410579

IUPAC(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13FN2O3/c12-7-3-1-2-4-8(7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+
InChIKeyFPJPHZAJBALYAY-AOOOYVTPSA-N
MW240.23 g/mol
LogP0.40
Rot. Bonds1

About (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide

(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide (PubChem CID 79410579) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
PubChem CID79410579
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13FN2O3/c12-7-3-1-2-4-8(7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+
InChIKeyFPJPHZAJBALYAY-AOOOYVTPSA-N
XLogP0.40
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3S,4S)-1-[(2-fluorophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073608
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(4aS,7aS)-N-(2-fluorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680653
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide (CID 79410579) is (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide is O=C(Nc1ccccc1F)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The InChIKey is FPJPHZAJBALYAY-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-3-1-2-4-8(7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+.
What are the key properties of (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide has a molecular weight of 240.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 79410579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).