(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C18H24N2O4 — CID 134701145

IUPAC(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCCC1
InChIInChI=1S/C18H24N2O4/c1-23-12-18(9-5-6-10-18)20-17(22)16-15(19-14(21)11-24-16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1
InChIKeyWRQBAFSAEDPNTC-CVEARBPZSA-N
MW332.40 g/mol
LogP1.32
Rot. Bonds5

About (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134701145) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134701145
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCCC1
InChIInChI=1S/C18H24N2O4/c1-23-12-18(9-5-6-10-18)20-17(22)16-15(19-14(21)11-24-16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1
InChIKeyWRQBAFSAEDPNTC-CVEARBPZSA-N
XLogP1.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134701145) is (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide is COCC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCCC1.
What is the InChIKey of (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is WRQBAFSAEDPNTC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-12-18(9-5-6-10-18)20-17(22)16-15(19-14(21)11-24-16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).