methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate

C9H13N5O3 — CID 43410266

IUPACmethyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O3/c1-17-9(16)7-3-2-4-14(7)8(15)5-13-6-10-11-12-13/h6-7H,2-5H2,1H3
InChIKeyMOSLICCWCRHRFX-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.16
Rot. Bonds3

About methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43410266) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43410266
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Namemethyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O3/c1-17-9(16)7-3-2-4-14(7)8(15)5-13-6-10-11-12-13/h6-7H,2-5H2,1H3
InChIKeyMOSLICCWCRHRFX-UHFFFAOYSA-N
XLogP-1.16
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2S)-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 81003736
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43410218
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 43410266) is methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cn1cnnn1.
What is the InChIKey of methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is MOSLICCWCRHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-17-9(16)7-3-2-4-14(7)8(15)5-13-6-10-11-12-13/h6-7H,2-5H2,1H3.
What are the key properties of methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 239.23 g/mol, XLogP of -1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).