(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide

C15H20FN5O2 — CID 71066530

IUPAC(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide
SMILESCO[C@H](c1ccc(NC(=O)[C@H]2CCCN2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H20FN5O2/c1-23-14(13(9-16)20-21-17)10-4-6-11(7-5-10)19-15(22)12-3-2-8-18-12/h4-7,12-14,18H,2-3,8-9H2,1H3,(H,19,22)/t12-,13-,14-/m1/s1
InChIKeyGASQTTVLOFORAB-MGPQQGTHSA-N
MW321.36 g/mol
LogP2.71
Rot. Bonds7

About (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 71066530) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID71066530
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide
SMILESCO[C@H](c1ccc(NC(=O)[C@H]2CCCN2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H20FN5O2/c1-23-14(13(9-16)20-21-17)10-4-6-11(7-5-10)19-15(22)12-3-2-8-18-12/h4-7,12-14,18H,2-3,8-9H2,1H3,(H,19,22)/t12-,13-,14-/m1/s1
InChIKeyGASQTTVLOFORAB-MGPQQGTHSA-N
XLogP2.71
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide (CID 71066530) is (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide is CO[C@H](c1ccc(NC(=O)[C@H]2CCCN2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GASQTTVLOFORAB-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-23-14(13(9-16)20-21-17)10-4-6-11(7-5-10)19-15(22)12-3-2-8-18-12/h4-7,12-14,18H,2-3,8-9H2,1H3,(H,19,22)/t12-,13-,14-/m1/s1.
What are the key properties of (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71066530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).