(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C17H23N3O4 — CID 134707406

IUPAC(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N(C)CC(N)=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-11(2)20-14(22)10-24-16(17(23)19(3)9-13(18)21)15(20)12-7-5-4-6-8-12/h4-8,11,15-16H,9-10H2,1-3H3,(H2,18,21)/t15-,16+/m1/s1
InChIKeyCVSIAZXMFKEKNU-CVEARBPZSA-N
MW333.39 g/mol
LogP0.31
Rot. Bonds5

About (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134707406) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134707406
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N(C)CC(N)=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-11(2)20-14(22)10-24-16(17(23)19(3)9-13(18)21)15(20)12-7-5-4-6-8-12/h4-8,11,15-16H,9-10H2,1-3H3,(H2,18,21)/t15-,16+/m1/s1
InChIKeyCVSIAZXMFKEKNU-CVEARBPZSA-N
XLogP0.31
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134709715
formic acid;(2S,3R)-N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 154914318
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134696637
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
CID 154913355
(2S,3R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134712674
(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 162634756
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134707406) is (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)N(C)CC(N)=O)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is CVSIAZXMFKEKNU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(2)20-14(22)10-24-16(17(23)19(3)9-13(18)21)15(20)12-7-5-4-6-8-12/h4-8,11,15-16H,9-10H2,1-3H3,(H2,18,21)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134707406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).