2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

C16H28N4O4 — CID 154455866

IUPAC2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@@H](C(N)C(N)=O)C1=O
InChIInChI=1S/C16H28N4O4/c1-3-10(2)13(16(23)19-6-8-24-9-7-19)20-5-4-11(15(20)22)12(17)14(18)21/h10-13H,3-9,17H2,1-2H3,(H2,18,21)/t10-,11-,12?,13-/m0/s1
InChIKeyUEXSLJMAMOFIAJ-XYIZDEMUSA-N
MW340.42 g/mol
LogP-1.08
Rot. Bonds6

About 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 154455866) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID154455866
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@@H](C(N)C(N)=O)C1=O
InChIInChI=1S/C16H28N4O4/c1-3-10(2)13(16(23)19-6-8-24-9-7-19)20-5-4-11(15(20)22)12(17)14(18)21/h10-13H,3-9,17H2,1-2H3,(H2,18,21)/t10-,11-,12?,13-/m0/s1
InChIKeyUEXSLJMAMOFIAJ-XYIZDEMUSA-N
XLogP-1.08
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (CID 154455866) is 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is CC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@@H](C(N)C(N)=O)C1=O.
What is the InChIKey of 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is UEXSLJMAMOFIAJ-XYIZDEMUSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-3-10(2)13(16(23)19-6-8-24-9-7-19)20-5-4-11(15(20)22)12(17)14(18)21/h10-13H,3-9,17H2,1-2H3,(H2,18,21)/t10-,11-,12?,13-/m0/s1.
What are the key properties of 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 154455866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).