methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate

C11H19N5O3 — CID 163312715

IUPACmethyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCCN1CCOC(c2nnn(C)n2)C1
InChIInChI=1S/C11H19N5O3/c1-15-13-11(12-14-15)9-8-16(6-7-19-9)5-3-4-10(17)18-2/h9H,3-8H2,1-2H3
InChIKeyMSVXARLRURKYGD-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.46
Rot. Bonds5

About methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate

methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate (PubChem CID 163312715) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
PubChem CID163312715
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Namemethyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCCN1CCOC(c2nnn(C)n2)C1
InChIInChI=1S/C11H19N5O3/c1-15-13-11(12-14-15)9-8-16(6-7-19-9)5-3-4-10(17)18-2/h9H,3-8H2,1-2H3
InChIKeyMSVXARLRURKYGD-UHFFFAOYSA-N
XLogP-0.46
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
CID 163309338
4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methyltetrazol-5-yl)morpholine
CID 163306571
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
CID 157011317
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate?
The IUPAC name of methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate (CID 163312715) is methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate?
The canonical SMILES for methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate is COC(=O)CCCN1CCOC(c2nnn(C)n2)C1.
What is the InChIKey of methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate?
The InChIKey is MSVXARLRURKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-15-13-11(12-14-15)9-8-16(6-7-19-9)5-3-4-10(17)18-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate?
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate has a molecular weight of 269.30 g/mol, XLogP of -0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate is sourced from PubChem (CID 163312715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).