(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide

C14H19FN2O2 — CID 125135269

IUPAC(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@]1(C(=O)NC[C@@H](O)c2ccccc2F)CCNC1
InChIInChI=1S/C14H19FN2O2/c1-14(6-7-16-9-14)13(19)17-8-12(18)10-4-2-3-5-11(10)15/h2-5,12,16,18H,6-9H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyQXWLGIBDQAHDSO-OCCSQVGLSA-N
MW266.32 g/mol
LogP0.97
Rot. Bonds4

About (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide

(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 125135269) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID125135269
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@]1(C(=O)NC[C@@H](O)c2ccccc2F)CCNC1
InChIInChI=1S/C14H19FN2O2/c1-14(6-7-16-9-14)13(19)17-8-12(18)10-4-2-3-5-11(10)15/h2-5,12,16,18H,6-9H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyQXWLGIBDQAHDSO-OCCSQVGLSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
CID 106175529
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110012499
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 107222737

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide (CID 125135269) is (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide is C[C@]1(C(=O)NC[C@@H](O)c2ccccc2F)CCNC1.
What is the InChIKey of (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is QXWLGIBDQAHDSO-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(6-7-16-9-14)13(19)17-8-12(18)10-4-2-3-5-11(10)15/h2-5,12,16,18H,6-9H2,1H3,(H,17,19)/t12-,14+/m1/s1.
What are the key properties of (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide?
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 125135269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).