formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

C18H24N6O5 — CID 163341566

IUPACformic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1.O=CO
InChIInChI=1S/C17H22N6O3.CH2O2/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13;2-1-3/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22);1H,(H,2,3)/t15-,16+;/m1./s1
InChIKeyRGWWCRHBWPUKTD-RCPFAERMSA-N
MW404.43 g/mol
LogP-0.06
Rot. Bonds6

About formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (PubChem CID 163341566) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
PubChem CID163341566
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Nameformic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1.O=CO
InChIInChI=1S/C17H22N6O3.CH2O2/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13;2-1-3/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22);1H,(H,2,3)/t15-,16+;/m1./s1
InChIKeyRGWWCRHBWPUKTD-RCPFAERMSA-N
XLogP-0.06
TPSA150.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (CID 163341566) is formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1.O=CO.
What is the InChIKey of formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is RGWWCRHBWPUKTD-RCPFAERMSA-N. The full InChI is InChI=1S/C17H22N6O3.CH2O2/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13;2-1-3/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22);1H,(H,2,3)/t15-,16+;/m1./s1.
What are the key properties of formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 163341566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).