2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide

C9H17N3O3 — CID 43594047

IUPAC2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@H]1CNCC1NC(=O)CNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-6(13)11-5-9(14)12-7-3-10-4-8(7)15-2/h7-8,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)/t7?,8-/m0/s1
InChIKeyPKPGOEXWRCAFEK-MQWKRIRWSA-N
MW215.25 g/mol
LogP-1.77
Rot. Bonds4

About 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide

2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide (PubChem CID 43594047) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
PubChem CID43594047
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@H]1CNCC1NC(=O)CNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-6(13)11-5-9(14)12-7-3-10-4-8(7)15-2/h7-8,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)/t7?,8-/m0/s1
InChIKeyPKPGOEXWRCAFEK-MQWKRIRWSA-N
XLogP-1.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide (CID 43594047) is 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide is CO[C@H]1CNCC1NC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The InChIKey is PKPGOEXWRCAFEK-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(13)11-5-9(14)12-7-3-10-4-8(7)15-2/h7-8,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)/t7?,8-/m0/s1.
What are the key properties of 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 43594047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).