(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide

C16H20FN3O3 — CID 120793260

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ccccc3F)C2=O)O1
InChIInChI=1S/C16H20FN3O3/c17-11-3-1-2-4-13(11)20-8-7-12(16(20)22)19-15(21)14-6-5-10(9-18)23-14/h1-4,10,12,14H,5-9,18H2,(H,19,21)/t10-,12?,14+/m1/s1
InChIKeyWPOCMVHLVOVYAV-HDDSUISISA-N
MW321.35 g/mol
LogP0.55
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide (PubChem CID 120793260) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
PubChem CID120793260
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ccccc3F)C2=O)O1
InChIInChI=1S/C16H20FN3O3/c17-11-3-1-2-4-13(11)20-8-7-12(16(20)22)19-15(21)14-6-5-10(9-18)23-14/h1-4,10,12,14H,5-9,18H2,(H,19,21)/t10-,12?,14+/m1/s1
InChIKeyWPOCMVHLVOVYAV-HDDSUISISA-N
XLogP0.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120793465
(2S,5R)-5-(aminomethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120794195
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793212
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
(2S,5R)-5-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxolane-2-carboxamide
CID 120795138
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 119785285

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide (CID 120793260) is (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ccccc3F)C2=O)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The InChIKey is WPOCMVHLVOVYAV-HDDSUISISA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-11-3-1-2-4-13(11)20-8-7-12(16(20)22)19-15(21)14-6-5-10(9-18)23-14/h1-4,10,12,14H,5-9,18H2,(H,19,21)/t10-,12?,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120793260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).