2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide

C12H23N3O4 — CID 112628478

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(C(C)O)C1
InChIInChI=1S/C12H23N3O4/c1-9(16)10-3-5-15(7-10)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyGATMOORSNZJJLF-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.84
Rot. Bonds6

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 112628478) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID112628478
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(C(C)O)C1
InChIInChI=1S/C12H23N3O4/c1-9(16)10-3-5-15(7-10)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyGATMOORSNZJJLF-UHFFFAOYSA-N
XLogP-0.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 114681481
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
N-(1-ethylpiperidin-4-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019949
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide (CID 112628478) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCC(C(C)O)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is GATMOORSNZJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-9(16)10-3-5-15(7-10)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 112628478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).