(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide

C6H11FN2O2 — CID 122536272

IUPAC(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C6H11FN2O2/c1-8-6(11)9-2-4(7)5(10)3-9/h4-5,10H,2-3H2,1H3,(H,8,11)/t4-,5-/m0/s1
InChIKeyGCCVIDCPGZGJOR-WHFBIAKZSA-N
MW162.16 g/mol
LogP-0.66
Rot. Bonds

About (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide

(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide (PubChem CID 122536272) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
PubChem CID122536272
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C6H11FN2O2/c1-8-6(11)9-2-4(7)5(10)3-9/h4-5,10H,2-3H2,1H3,(H,8,11)/t4-,5-/m0/s1
InChIKeyGCCVIDCPGZGJOR-WHFBIAKZSA-N
XLogP-0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxypropyl)imidazolidin-2-one
CID 10419305
N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 57489401
N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 87524500
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583447
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
3-Fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 152447553
(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
(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103739416
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 104410864

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide (CID 122536272) is (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide?
The InChIKey is GCCVIDCPGZGJOR-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11FN2O2/c1-8-6(11)9-2-4(7)5(10)3-9/h4-5,10H,2-3H2,1H3,(H,8,11)/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide?
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide has a molecular weight of 162.16 g/mol, XLogP of -0.66, 0 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-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 122536272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).