methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate

C12H17N5O4 — CID 112531510

IUPACmethyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1ncc(NC(C)=O)n1
InChIInChI=1S/C12H17N5O4/c1-8(18)14-10-6-13-17(15-10)7-11(19)16-5-3-4-9(16)12(20)21-2/h6,9H,3-5,7H2,1-2H3,(H,14,15,18)
InChIKeyUPZOVYIFKGRPSQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.60
Rot. Bonds4

About methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 112531510) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID112531510
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Namemethyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1ncc(NC(C)=O)n1
InChIInChI=1S/C12H17N5O4/c1-8(18)14-10-6-13-17(15-10)7-11(19)16-5-3-4-9(16)12(20)21-2/h6,9H,3-5,7H2,1-2H3,(H,14,15,18)
InChIKeyUPZOVYIFKGRPSQ-UHFFFAOYSA-N
XLogP-0.60
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-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 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575
methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112531885
methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410266
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43410218
1-[3-(2-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483260
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate (CID 112531510) is methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cn1ncc(NC(C)=O)n1.
What is the InChIKey of methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is UPZOVYIFKGRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-8(18)14-10-6-13-17(15-10)7-11(19)16-5-3-4-9(16)12(20)21-2/h6,9H,3-5,7H2,1-2H3,(H,14,15,18).
What are the key properties of methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 295.30 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112531510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).