2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H28N4O3 — CID 96998898

IUPAC2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCN1CCO[C@@H](CNCC(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H28N4O3/c1-18-8-9-22-13(12-18)10-16-11-14(20)17-5-3-7-19-6-2-4-15(19)21/h13,16H,2-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyWWPZBXWLQPSLRA-ZDUSSCGKSA-N
MW312.41 g/mol
LogP-0.96
Rot. Bonds8

About 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 96998898) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID96998898
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCN1CCO[C@@H](CNCC(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H28N4O3/c1-18-8-9-22-13(12-18)10-16-11-14(20)17-5-3-7-19-6-2-4-15(19)21/h13,16H,2-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyWWPZBXWLQPSLRA-ZDUSSCGKSA-N
XLogP-0.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 167933775
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960546
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 96998898) is 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is CN1CCO[C@@H](CNCC(=O)NCCCN2CCCC2=O)C1.
What is the InChIKey of 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is WWPZBXWLQPSLRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-18-8-9-22-13(12-18)10-16-11-14(20)17-5-3-7-19-6-2-4-15(19)21/h13,16H,2-12H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of -0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 96998898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).