(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide

C13H21N3O2 — CID 126429175

IUPAC(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NCC1(CO)CCC1
InChIInChI=1S/C13H21N3O2/c1-10(16-7-6-14-11(16)2)12(18)15-8-13(9-17)4-3-5-13/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGMSZJKWUXTTZSZ-JTQLQIEISA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds5

About (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126429175) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126429175
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NCC1(CO)CCC1
InChIInChI=1S/C13H21N3O2/c1-10(16-7-6-14-11(16)2)12(18)15-8-13(9-17)4-3-5-13/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGMSZJKWUXTTZSZ-JTQLQIEISA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide 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 (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide (CID 126429175) is (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1[C@@H](C)C(=O)NCC1(CO)CCC1.
What is the InChIKey of (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is GMSZJKWUXTTZSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(16-7-6-14-11(16)2)12(18)15-8-13(9-17)4-3-5-13/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126429175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).