2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone

C22H31N3O3 — CID 120746493

IUPAC2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone
SMILESN[C@@H]1CN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H31N3O3/c23-19-16-25(15-18(19)17-6-2-1-3-7-17)21(27)22(8-4-5-9-22)14-20(26)24-10-12-28-13-11-24/h1-3,6-7,18-19H,4-5,8-16,23H2/t18-,19+/m0/s1
InChIKeyVJNGGUWLYLILKS-RBUKOAKNSA-N
MW385.51 g/mol
LogP1.75
Rot. Bonds4

About 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone

2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone (PubChem CID 120746493) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone
PubChem CID120746493
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone
SMILESN[C@@H]1CN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H31N3O3/c23-19-16-25(15-18(19)17-6-2-1-3-7-17)21(27)22(8-4-5-9-22)14-20(26)24-10-12-28-13-11-24/h1-3,6-7,18-19H,4-5,8-16,23H2/t18-,19+/m0/s1
InChIKeyVJNGGUWLYLILKS-RBUKOAKNSA-N
XLogP1.75
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylcyclopropyl)methanone
CID 120748870
1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
CID 39964571
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 120746793
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone;hydrochloride
CID 120747893
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(oxan-4-yloxy)ethanone
CID 120746141
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 120742867
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 51861893
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120936915
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120749541
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 120746621
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-ethylsulfonylethanone;hydrochloride
CID 120747325

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone (CID 120746493) is 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone is N[C@@H]1CN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone?
The InChIKey is VJNGGUWLYLILKS-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H31N3O3/c23-19-16-25(15-18(19)17-6-2-1-3-7-17)21(27)22(8-4-5-9-22)14-20(26)24-10-12-28-13-11-24/h1-3,6-7,18-19H,4-5,8-16,23H2/t18-,19+/m0/s1.
What are the key properties of 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone?
2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone has a molecular weight of 385.51 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]cyclopentyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 120746493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).