[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate

C20H26N2O5 — CID 51861893

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
SMILESNC(=O)[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2O5/c21-18(24)17(15-6-2-1-3-7-15)27-19(25)20(8-4-5-9-20)14-16(23)22-10-12-26-13-11-22/h1-3,6-7,17H,4-5,8-14H2,(H2,21,24)/t17-/m1/s1
InChIKeyVEHPGEFGWONJIM-QGZVFWFLSA-N
MW374.44 g/mol
LogP1.57
Rot. Bonds6

About [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate

[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate (PubChem CID 51861893) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
PubChem CID51861893
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
SMILESNC(=O)[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2O5/c21-18(24)17(15-6-2-1-3-7-15)27-19(25)20(8-4-5-9-20)14-16(23)22-10-12-26-13-11-22/h1-3,6-7,17H,4-5,8-14H2,(H2,21,24)/t17-/m1/s1
InChIKeyVEHPGEFGWONJIM-QGZVFWFLSA-N
XLogP1.57
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate (CID 51861893) is [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate is NC(=O)[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The InChIKey is VEHPGEFGWONJIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O5/c21-18(24)17(15-6-2-1-3-7-15)27-19(25)20(8-4-5-9-20)14-16(23)22-10-12-26-13-11-22/h1-3,6-7,17H,4-5,8-14H2,(H2,21,24)/t17-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 51861893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).