2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide

C9H17N3O3 — CID 74883365

IUPAC2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
SMILESCOC1CNCC1NC(=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)
InChIKeyPKPGOEXWRCAFEK-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.77
Rot. Bonds4

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

2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide (PubChem CID 74883365) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
PubChem CID74883365
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
SMILESCOC1CNCC1NC(=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)
InChIKeyPKPGOEXWRCAFEK-UHFFFAOYSA-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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Related Compounds

2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 91660071
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 122561321

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide?
The IUPAC name of 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide (CID 74883365) is 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide is COC1CNCC1NC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide?
The InChIKey is PKPGOEXWRCAFEK-UHFFFAOYSA-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).
What are the key properties of 2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide?
2-acetamido-N-(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-(4-methoxypyrrolidin-3-yl)acetamide is sourced from PubChem (CID 74883365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).