2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride

C10H18ClN5O3 — CID 46736953

IUPAC2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
SMILESCC1CN(Cc2nnnn2CC(=O)O)CC(C)O1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-7-3-14(4-8(2)18-7)5-9-11-12-13-15(9)6-10(16)17;/h7-8H,3-6H2,1-2H3,(H,16,17);1H
InChIKeySMEAYYKJTFAWIG-UHFFFAOYSA-N
MW291.74 g/mol
LogP-0.21
Rot. Bonds4

About 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride

2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride (PubChem CID 46736953) has the molecular formula C10H18ClN5O3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
PubChem CID46736953
Molecular FormulaC10H18ClN5O3
Molecular Weight291.74 g/mol
Exact Mass291.11
IUPAC Name2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
SMILESCC1CN(Cc2nnnn2CC(=O)O)CC(C)O1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-7-3-14(4-8(2)18-7)5-9-11-12-13-15(9)6-10(16)17;/h7-8H,3-6H2,1-2H3,(H,16,17);1H
InChIKeySMEAYYKJTFAWIG-UHFFFAOYSA-N
XLogP-0.21
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride (CID 46736953) is 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride is CC1CN(Cc2nnnn2CC(=O)O)CC(C)O1.Cl.
What is the InChIKey of 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride?
The InChIKey is SMEAYYKJTFAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3.ClH/c1-7-3-14(4-8(2)18-7)5-9-11-12-13-15(9)6-10(16)17;/h7-8H,3-6H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride?
2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 46736953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).