(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one

C12H16FN3O2 — CID 11688427

IUPAC(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CC[C@H](F)C1)[C@@H](O)c1ccncc1
InChIInChI=1S/C12H16FN3O2/c13-9-3-6-16(7-9)12(18)10(14)11(17)8-1-4-15-5-2-8/h1-2,4-5,9-11,17H,3,6-7,14H2/t9-,10+,11-/m0/s1
InChIKeyFINPRTYXCDSBEF-AXFHLTTASA-N
MW253.28 g/mol
LogP0.01
Rot. Bonds3

About (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one

(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one (PubChem CID 11688427) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one
PubChem CID11688427
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CC[C@H](F)C1)[C@@H](O)c1ccncc1
InChIInChI=1S/C12H16FN3O2/c13-9-3-6-16(7-9)12(18)10(14)11(17)8-1-4-15-5-2-8/h1-2,4-5,9-11,17H,3,6-7,14H2/t9-,10+,11-/m0/s1
InChIKeyFINPRTYXCDSBEF-AXFHLTTASA-N
XLogP0.01
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one with MolForge

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Related Compounds

2-Amino-3-hydroxy-3-(pyridin-4-yl)-1-(pyrrolidin-1-yl)propan-1-one, (2R,3S)-
CID 11535990
N-(2-hydroxy-2-pyridin-4-ylethyl)tetradecanamide
CID 71456551
12-(dimethylamino)-N-(2-hydroxy-2-pyridin-4-ylethyl)dodecanamide
CID 71524723
N-[(3S4R)-1-[(3-Fluoropyridin-4-YL)methyl]-4-(hydroxymethyl)pyrrolidin-3-YL]cyclopropanecarboxamide
CID 124050250
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 11544052
(2r,3s)-2-Amino-3-hydroxy-3-(pyridin-4-yl)-propanoic acid
CID 57571275
3-Hydroxy-3-pyridin-3-ylpropanamide
CID 101807925
(3R*,4R*)-1-(cyclobutylcarbonyl)-4-[(3-pyridinylmethyl)amino]-3-pyrrolidinol
CID 56914844
2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 75431273
(2R,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-3-pyridin-4-ylpropan-1-one
CID 11508429
(2R,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-hydroxy-3-pyridin-4-ylpropan-1-one
CID 11681401
(2S,3R)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-3-pyridin-4-ylpropan-1-one
CID 11681705

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one (CID 11688427) is (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one is N[C@@H](C(=O)N1CC[C@H](F)C1)[C@@H](O)c1ccncc1.
What is the InChIKey of (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one?
The InChIKey is FINPRTYXCDSBEF-AXFHLTTASA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-9-3-6-16(7-9)12(18)10(14)11(17)8-1-4-15-5-2-8/h1-2,4-5,9-11,17H,3,6-7,14H2/t9-,10+,11-/m0/s1.
What are the key properties of (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one?
(2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one has a molecular weight of 253.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 11688427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).