(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide

C9H16FN3O — CID 130608654

IUPAC(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCN1
InChIInChI=1S/C9H16FN3O/c10-6-3-7(12-4-6)5-13-9(14)8-1-2-11-8/h6-8,11-12H,1-5H2,(H,13,14)/t6-,7-,8+/m0/s1
InChIKeyBJCYNDHWDOLRNZ-BIIVOSGPSA-N
MW201.24 g/mol
LogP-0.84
Rot. Bonds3

About (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide

(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide (PubChem CID 130608654) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
PubChem CID130608654
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCN1
InChIInChI=1S/C9H16FN3O/c10-6-3-7(12-4-6)5-13-9(14)8-1-2-11-8/h6-8,11-12H,1-5H2,(H,13,14)/t6-,7-,8+/m0/s1
InChIKeyBJCYNDHWDOLRNZ-BIIVOSGPSA-N
XLogP-0.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 129493468
N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 121199959
1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 131038227
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
(2R)-N-(2,2-difluoroethyl)azetidine-2-carboxamide
CID 130742348
(2R)-N-[(2,2-dimethylcyclopropyl)methyl]azetidine-2-carboxamide
CID 130710779
(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 131160678
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
CID 70733572
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide (CID 130608654) is (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide is O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCN1.
What is the InChIKey of (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide?
The InChIKey is BJCYNDHWDOLRNZ-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H16FN3O/c10-6-3-7(12-4-6)5-13-9(14)8-1-2-11-8/h6-8,11-12H,1-5H2,(H,13,14)/t6-,7-,8+/m0/s1.
What are the key properties of (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide?
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide has a molecular weight of 201.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 130608654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).