trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide

C17H24FN3O2 — CID 124700252

IUPACtrans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H24FN3O2/c18-14-10-12(4-5-16(14)21-6-8-23-9-7-21)11-20-17(22)13-2-1-3-15(13)19/h4-5,10,13,15H,1-3,6-9,11,19H2,(H,20,22)/t13-,15-/m1/s1
InChIKeyKWVCVMXQYVDEHU-UKRRQHHQSA-N
MW321.40 g/mol
LogP1.41
Rot. Bonds4

About trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 124700252) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID124700252
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametrans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H24FN3O2/c18-14-10-12(4-5-16(14)21-6-8-23-9-7-21)11-20-17(22)13-2-1-3-15(13)19/h4-5,10,13,15H,1-3,6-9,11,19H2,(H,20,22)/t13-,15-/m1/s1
InChIKeyKWVCVMXQYVDEHU-UKRRQHHQSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 124700252) is trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide is N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is KWVCVMXQYVDEHU-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-10-12(4-5-16(14)21-6-8-23-9-7-21)11-20-17(22)13-2-1-3-15(13)19/h4-5,10,13,15H,1-3,6-9,11,19H2,(H,20,22)/t13-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124700252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).