2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide

C15H25N5O3 — CID 129341772

IUPAC2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
SMILESCN1CCO[C@@H](CN(CC(N)=O)C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H25N5O3/c1-18-8-9-23-13(10-18)11-20(12-14(16)21)15(22)17-4-7-19-5-2-3-6-19/h2-3,5-6,13H,4,7-12H2,1H3,(H2,16,21)(H,17,22)/t13-/m1/s1
InChIKeyRVPFUQSLFDGFCE-CYBMUJFWSA-N
MW323.40 g/mol
LogP-0.68
Rot. Bonds7

About 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide

2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide (PubChem CID 129341772) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide.

Molecular Properties

Compound Name2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
PubChem CID129341772
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
SMILESCN1CCO[C@@H](CN(CC(N)=O)C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H25N5O3/c1-18-8-9-23-13(10-18)11-20(12-14(16)21)15(22)17-4-7-19-5-2-3-6-19/h2-3,5-6,13H,4,7-12H2,1H3,(H2,16,21)(H,17,22)/t13-/m1/s1
InChIKeyRVPFUQSLFDGFCE-CYBMUJFWSA-N
XLogP-0.68
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide?
The IUPAC name of 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide (CID 129341772) is 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide.
What is the SMILES notation for 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide?
The canonical SMILES for 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide is CN1CCO[C@@H](CN(CC(N)=O)C(=O)NCCn2cccc2)C1.
What is the InChIKey of 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide?
The InChIKey is RVPFUQSLFDGFCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-18-8-9-23-13(10-18)11-20(12-14(16)21)15(22)17-4-7-19-5-2-3-6-19/h2-3,5-6,13H,4,7-12H2,1H3,(H2,16,21)(H,17,22)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide?
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide has a molecular weight of 323.40 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide is sourced from PubChem (CID 129341772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).