2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide

C9H17N3O2 — CID 178168111

IUPAC2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide
SMILESCNCC(=O)N1CC[C@@H](CC(N)=O)C1
InChIInChI=1S/C9H17N3O2/c1-11-5-9(14)12-3-2-7(6-12)4-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1
InChIKeyDQLUWQYFPVJXIU-ZETCQYMHSA-N
MW199.25 g/mol
LogP-1.07
Rot. Bonds4

About 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide

2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 178168111) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide
PubChem CID178168111
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide
SMILESCNCC(=O)N1CC[C@@H](CC(N)=O)C1
InChIInChI=1S/C9H17N3O2/c1-11-5-9(14)12-3-2-7(6-12)4-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1
InChIKeyDQLUWQYFPVJXIU-ZETCQYMHSA-N
XLogP-1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide (CID 178168111) is 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide is CNCC(=O)N1CC[C@@H](CC(N)=O)C1.
What is the InChIKey of 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DQLUWQYFPVJXIU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-5-9(14)12-3-2-7(6-12)4-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide?
2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 199.25 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 178168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).