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

C16H20N4O4 — CID 134699988

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C16H20N4O4/c1-19(8-12(17)21)16(23)15-14(10-3-2-6-18-7-10)20(11-4-5-11)13(22)9-24-15/h2-3,6-7,11,14-15H,4-5,8-9H2,1H3,(H2,17,21)/t14-,15+/m1/s1
InChIKeyMZCLORSOQOJJAN-CABCVRRESA-N
MW332.36 g/mol
LogP-0.54
Rot. Bonds5

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

(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134699988) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134699988
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C16H20N4O4/c1-19(8-12(17)21)16(23)15-14(10-3-2-6-18-7-10)20(11-4-5-11)13(22)9-24-15/h2-3,6-7,11,14-15H,4-5,8-9H2,1H3,(H2,17,21)/t14-,15+/m1/s1
InChIKeyMZCLORSOQOJJAN-CABCVRRESA-N
XLogP-0.54
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134699988) is (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is CN(CC(N)=O)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is MZCLORSOQOJJAN-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O4/c1-19(8-12(17)21)16(23)15-14(10-3-2-6-18-7-10)20(11-4-5-11)13(22)9-24-15/h2-3,6-7,11,14-15H,4-5,8-9H2,1H3,(H2,17,21)/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134699988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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