(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

C16H20N6O3 — CID 157012821

IUPAC(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2nn[nH]n2)OCC(=O)N1C
InChIInChI=1S/C16H20N6O3/c1-10-5-3-4-6-11(10)14-15(25-9-13(23)22(14)2)16(24)17-8-7-12-18-20-21-19-12/h3-6,14-15H,7-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1
InChIKeyGFSIGADFALGYCN-CABCVRRESA-N
MW344.38 g/mol
LogP-0.23
Rot. Bonds5

About (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (PubChem CID 157012821) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
PubChem CID157012821
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2nn[nH]n2)OCC(=O)N1C
InChIInChI=1S/C16H20N6O3/c1-10-5-3-4-6-11(10)14-15(25-9-13(23)22(14)2)16(24)17-8-7-12-18-20-21-19-12/h3-6,14-15H,7-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1
InChIKeyGFSIGADFALGYCN-CABCVRRESA-N
XLogP-0.23
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (CID 157012821) is (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2nn[nH]n2)OCC(=O)N1C.
What is the InChIKey of (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is GFSIGADFALGYCN-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N6O3/c1-10-5-3-4-6-11(10)14-15(25-9-13(23)22(14)2)16(24)17-8-7-12-18-20-21-19-12/h3-6,14-15H,7-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 157012821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).