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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Related Compounds

1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
CID 128997935
2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide
CID 129330452
trans-(1S,2S)-N-(2-amino-2-oxoethyl)-2-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 129332929
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-[(2-cyclohexyloxyacetyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128970226
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739
1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
CID 103731722
2-[1-benzofuran-3-ylmethyl-[[(2R)-4-methylmorpholin-2-yl]methyl]amino]acetamide
CID 129333096

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).