Gzznbnbzfxlzqf-mjbxvcdlsa-

C14H21NO4 — CID 21573886

IUPAC(2S,6R,7S)-4-benzyl-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-6-ol
SMILESCO[C@@H]1[C@@H](CN(C[C@H](O1)CO)CC2=CC=CC=C2)O
InChIInChI=1S/C14H21NO4/c1-18-14-13(17)9-15(8-12(10-16)19-14)7-11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyGZZNBNBZFXLZQF-MJBXVCDLSA-N
MW267.32 g/mol
LogP0.20
Rot. Bonds4

About Gzznbnbzfxlzqf-mjbxvcdlsa-

Gzznbnbzfxlzqf-mjbxvcdlsa- (PubChem CID 21573886) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2S,6R,7S)-4-benzyl-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-6-ol.

Molecular Properties

Compound NameGzznbnbzfxlzqf-mjbxvcdlsa-
PubChem CID21573886
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2S,6R,7S)-4-benzyl-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-6-ol
SMILESCO[C@@H]1[C@@H](CN(C[C@H](O1)CO)CC2=CC=CC=C2)O
InChIInChI=1S/C14H21NO4/c1-18-14-13(17)9-15(8-12(10-16)19-14)7-11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyGZZNBNBZFXLZQF-MJBXVCDLSA-N
XLogP0.20
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity258

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Gzznbnbzfxlzqf-mjbxvcdlsa-?
The IUPAC name of Gzznbnbzfxlzqf-mjbxvcdlsa- (CID 21573886) is (2S,6R,7S)-4-benzyl-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-6-ol.
What is the SMILES notation for Gzznbnbzfxlzqf-mjbxvcdlsa-?
The canonical SMILES for Gzznbnbzfxlzqf-mjbxvcdlsa- is CO[C@@H]1[C@@H](CN(C[C@H](O1)CO)CC2=CC=CC=C2)O.
What is the InChIKey of Gzznbnbzfxlzqf-mjbxvcdlsa-?
The InChIKey is GZZNBNBZFXLZQF-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-14-13(17)9-15(8-12(10-16)19-14)7-11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13+,14-/m0/s1.
What are the key properties of Gzznbnbzfxlzqf-mjbxvcdlsa-?
Gzznbnbzfxlzqf-mjbxvcdlsa- has a molecular weight of 267.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Gzznbnbzfxlzqf-mjbxvcdlsa- is sourced from PubChem (CID 21573886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).