(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide

C17H21ClN2O3 — CID 95739604

IUPAC(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c1-20-14(21)10-23-16(17(22)19-13-4-2-3-5-13)15(20)11-6-8-12(18)9-7-11/h6-9,13,15-16H,2-5,10H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyGZTJFKZKPUGAMO-CVEARBPZSA-N
MW336.82 g/mol
LogP2.30
Rot. Bonds3

About (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739604) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID95739604
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c1-20-14(21)10-23-16(17(22)19-13-4-2-3-5-13)15(20)11-6-8-12(18)9-7-11/h6-9,13,15-16H,2-5,10H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyGZTJFKZKPUGAMO-CVEARBPZSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide (CID 95739604) is (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is GZTJFKZKPUGAMO-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-20-14(21)10-23-16(17(22)19-13-4-2-3-5-13)15(20)11-6-8-12(18)9-7-11/h6-9,13,15-16H,2-5,10H2,1H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).