methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate

C7H13N5O2 — CID 63150050

IUPACmethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-11(5-4-6(13)14-3)7-8-9-10-12(7)2/h4-5H2,1-3H3
InChIKeyFRLJWWQNQRPVMV-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.79
Rot. Bonds4

About methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate

methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate (PubChem CID 63150050) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
PubChem CID63150050
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Namemethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-11(5-4-6(13)14-3)7-8-9-10-12(7)2/h4-5H2,1-3H3
InChIKeyFRLJWWQNQRPVMV-UHFFFAOYSA-N
XLogP-0.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate (CID 63150050) is methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate is COC(=O)CCN(C)c1nnnn1C.
What is the InChIKey of methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The InChIKey is FRLJWWQNQRPVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-11(5-4-6(13)14-3)7-8-9-10-12(7)2/h4-5H2,1-3H3.
What are the key properties of methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate has a molecular weight of 199.21 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate is sourced from PubChem (CID 63150050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).