(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide

C8H15FN2O2 — CID 138583447

IUPAC(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m0/s1
InChIKeyRFOJYFWFOWSDBE-BQBZGAKWSA-N
MW190.22 g/mol
LogP0.12
Rot. Bonds1

About (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide

(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 138583447) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID138583447
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m0/s1
InChIKeyRFOJYFWFOWSDBE-BQBZGAKWSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Amino-4-fluoro-3-hydroxybutyl)-1,3,3-trimethylurea
CID 57592124
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
3-Fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 152447553
1-(1-Hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134507
(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75506491
(3S)-3-hydroxy-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831022
(3S)-3-hydroxy-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97831024
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646810
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646814
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide (CID 138583447) is (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is RFOJYFWFOWSDBE-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 190.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138583447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).