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

C14H18N6O2 — CID 120931676

IUPAC(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H18N6O2/c1-9-12(15-6-7-22-9)14(21)16-8-10-2-4-11(5-3-10)13-17-19-20-18-13/h2-5,9,12,15H,6-8H2,1H3,(H,16,21)(H,17,18,19,20)/t9-,12+/m1/s1
InChIKeyJEYDEWLPMZPUNA-SKDRFNHKSA-N
MW302.34 g/mol
LogP-0.14
Rot. Bonds4

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

(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 120931676) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID120931676
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H18N6O2/c1-9-12(15-6-7-22-9)14(21)16-8-10-2-4-11(5-3-10)13-17-19-20-18-13/h2-5,9,12,15H,6-8H2,1H3,(H,16,21)(H,17,18,19,20)/t9-,12+/m1/s1
InChIKeyJEYDEWLPMZPUNA-SKDRFNHKSA-N
XLogP-0.14
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120938886
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120924763
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 120936771
(2R,3S)-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 120938878
(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938951
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide (CID 120931676) is (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is JEYDEWLPMZPUNA-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-12(15-6-7-22-9)14(21)16-8-10-2-4-11(5-3-10)13-17-19-20-18-13/h2-5,9,12,15H,6-8H2,1H3,(H,16,21)(H,17,18,19,20)/t9-,12+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120931676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).