(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide

C16H27N5O3 — CID 91763732

IUPAC(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)[C@H]2CCCN2C)C1
InChIInChI=1S/C16H27N5O3/c1-20-5-3-4-13(20)16(23)17-12-8-11(9-12)15-19-18-14(10-22)21(15)6-7-24-2/h11-13,22H,3-10H2,1-2H3,(H,17,23)/t11?,12?,13-/m1/s1
InChIKeyNUADYRXYTQZDNI-WXRRBKDZSA-N
MW337.42 g/mol
LogP-0.13
Rot. Bonds7

About (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide

(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 91763732) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID91763732
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)[C@H]2CCCN2C)C1
InChIInChI=1S/C16H27N5O3/c1-20-5-3-4-13(20)16(23)17-12-8-11(9-12)15-19-18-14(10-22)21(15)6-7-24-2/h11-13,22H,3-10H2,1-2H3,(H,17,23)/t11?,12?,13-/m1/s1
InChIKeyNUADYRXYTQZDNI-WXRRBKDZSA-N
XLogP-0.13
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide (CID 91763732) is (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)[C@H]2CCCN2C)C1.
What is the InChIKey of (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is NUADYRXYTQZDNI-WXRRBKDZSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-20-5-3-4-13(20)16(23)17-12-8-11(9-12)15-19-18-14(10-22)21(15)6-7-24-2/h11-13,22H,3-10H2,1-2H3,(H,17,23)/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide?
(2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91763732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).