methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate

C13H13N5O3 — CID 168694718

IUPACmethyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C13H13N5O3/c1-21-13(20)9-6-11(19)18(7-9)10-4-2-8(3-5-10)12-14-16-17-15-12/h2-5,9H,6-7H2,1H3,(H,14,15,16,17)
InChIKeyCTLNZAIYLVSXIT-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.39
Rot. Bonds3

About methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate

methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate (PubChem CID 168694718) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate
PubChem CID168694718
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Namemethyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C13H13N5O3/c1-21-13(20)9-6-11(19)18(7-9)10-4-2-8(3-5-10)12-14-16-17-15-12/h2-5,9H,6-7H2,1H3,(H,14,15,16,17)
InChIKeyCTLNZAIYLVSXIT-UHFFFAOYSA-N
XLogP0.39
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(4-carbamothioylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 134112418
4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 166312596
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 58828883

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate (CID 168694718) is methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate?
The InChIKey is CTLNZAIYLVSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-21-13(20)9-6-11(19)18(7-9)10-4-2-8(3-5-10)12-14-16-17-15-12/h2-5,9H,6-7H2,1H3,(H,14,15,16,17).
What are the key properties of methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate?
methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 168694718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).