2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide

C6H11FN2O2 — CID 175996518

IUPAC2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C6H11FN2O2/c7-4-1-9(2-5(4)10)3-6(8)11/h4-5,10H,1-3H2,(H2,8,11)/t4-,5+/m1/s1
InChIKeySKZYEHWDZYWNBS-UHNVWZDZSA-N
MW162.16 g/mol
LogP-1.51
Rot. Bonds2

About 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide

2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 175996518) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID175996518
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C6H11FN2O2/c7-4-1-9(2-5(4)10)3-6(8)11/h4-5,10H,1-3H2,(H2,8,11)/t4-,5+/m1/s1
InChIKeySKZYEHWDZYWNBS-UHNVWZDZSA-N
XLogP-1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(3-Hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56687405
2-(3-hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62916630
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63365256
1-(3-Hydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261788
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79419412
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103719221
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106672119
2-(3-Hydroxypyrrolidin-1-yl)acetamide
CID 14799122
2-(3-Hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 18954372
2-(3,4-Dihydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 22267668
2-Amino-1-(3-hydroxypyrrolidin-1-yl)ethan-1-one
CID 22556964

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide (CID 175996518) is 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide is NC(=O)CN1C[C@@H](F)[C@@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is SKZYEHWDZYWNBS-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-1-9(2-5(4)10)3-6(8)11/h4-5,10H,1-3H2,(H2,8,11)/t4-,5+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide?
2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 162.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 175996518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).