propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate

C13H21N5O3 — CID 59075112

IUPACpropan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCCC(C(=O)OC(C)C)N1CC(c2nnn(C)n2)CC1=O
InChIInChI=1S/C13H21N5O3/c1-5-10(13(20)21-8(2)3)18-7-9(6-11(18)19)12-14-16-17(4)15-12/h8-10H,5-7H2,1-4H3
InChIKeyXZAJJECMYHISAB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.26
Rot. Bonds5

About propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate

propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate (PubChem CID 59075112) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate
PubChem CID59075112
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Namepropan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCCC(C(=O)OC(C)C)N1CC(c2nnn(C)n2)CC1=O
InChIInChI=1S/C13H21N5O3/c1-5-10(13(20)21-8(2)3)18-7-9(6-11(18)19)12-14-16-17(4)15-12/h8-10H,5-7H2,1-4H3
InChIKeyXZAJJECMYHISAB-UHFFFAOYSA-N
XLogP0.26
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate?
The IUPAC name of propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate (CID 59075112) is propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate.
What is the SMILES notation for propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate?
The canonical SMILES for propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate is CCC(C(=O)OC(C)C)N1CC(c2nnn(C)n2)CC1=O.
What is the InChIKey of propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate?
The InChIKey is XZAJJECMYHISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-5-10(13(20)21-8(2)3)18-7-9(6-11(18)19)12-14-16-17(4)15-12/h8-10H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate?
propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate has a molecular weight of 295.34 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2-methyltetrazol-5-yl)-2-oxopyrrolidin-1-yl]butanoate is sourced from PubChem (CID 59075112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).