2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

C11H22N2O3 — CID 62014539

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1CO
InChIInChI=1S/C11H22N2O3/c1-16-7-3-5-12-11(15)8-13-6-2-4-10(13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyZZBXFPDFBSQRMJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds7

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 62014539) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID62014539
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1CO
InChIInChI=1S/C11H22N2O3/c1-16-7-3-5-12-11(15)8-13-6-2-4-10(13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyZZBXFPDFBSQRMJ-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60684865
ethyl 4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 78942507
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
CID 110921438
methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
CID 47706706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 62014539) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is ZZBXFPDFBSQRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-16-7-3-5-12-11(15)8-13-6-2-4-10(13)9-14/h10,14H,2-9H2,1H3,(H,12,15).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62014539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).