ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate

C15H19ClN2O4 — CID 94610167

IUPACethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O4/c1-2-21-14(19)9-17-15(20)18-7-8-22-13(10-18)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyPQSHNVUBMRIPQK-CYBMUJFWSA-N
MW326.78 g/mol
LogP1.99
Rot. Bonds4

About ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate

ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate (PubChem CID 94610167) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
PubChem CID94610167
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Nameethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O4/c1-2-21-14(19)9-17-15(20)18-7-8-22-13(10-18)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyPQSHNVUBMRIPQK-CYBMUJFWSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
2-(4-chlorophenyl)-N-(2-ethyl-6-methylphenyl)morpholine-4-carboxamide
CID 87034912
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate (CID 94610167) is ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate?
The InChIKey is PQSHNVUBMRIPQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-2-21-14(19)9-17-15(20)18-7-8-22-13(10-18)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate?
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate has a molecular weight of 326.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate is sourced from PubChem (CID 94610167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).