[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone

C14H21N5O4 — CID 167871815

IUPAC[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCC1(c2nn[nH]n2)CN(C(=O)[C@]23CC[C@H](C2)[C@H](O)[C@@H]3O)CCO1
InChIInChI=1S/C14H21N5O4/c1-13(11-15-17-18-16-11)7-19(4-5-23-13)12(22)14-3-2-8(6-14)9(20)10(14)21/h8-10,20-21H,2-7H2,1H3,(H,15,16,17,18)/t8-,9+,10+,13?,14-/m1/s1
InChIKeyNXANYCKNBRUSJS-OWRIEXFCSA-N
MW323.35 g/mol
LogP-1.20
Rot. Bonds2

About [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone

[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 167871815) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID167871815
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCC1(c2nn[nH]n2)CN(C(=O)[C@]23CC[C@H](C2)[C@H](O)[C@@H]3O)CCO1
InChIInChI=1S/C14H21N5O4/c1-13(11-15-17-18-16-11)7-19(4-5-23-13)12(22)14-3-2-8(6-14)9(20)10(14)21/h8-10,20-21H,2-7H2,1H3,(H,15,16,17,18)/t8-,9+,10+,13?,14-/m1/s1
InChIKeyNXANYCKNBRUSJS-OWRIEXFCSA-N
XLogP-1.20
TPSA124.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (CID 167871815) is [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is CC1(c2nn[nH]n2)CN(C(=O)[C@]23CC[C@H](C2)[C@H](O)[C@@H]3O)CCO1.
What is the InChIKey of [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is NXANYCKNBRUSJS-OWRIEXFCSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-13(11-15-17-18-16-11)7-19(4-5-23-13)12(22)14-3-2-8(6-14)9(20)10(14)21/h8-10,20-21H,2-7H2,1H3,(H,15,16,17,18)/t8-,9+,10+,13?,14-/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 323.35 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 167871815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).