2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C12H25N3O2 — CID 114802649

IUPAC2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-2)14-12(16)8-15-6-4-11(7-15)3-5-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyKJRMCCNJBYMHJS-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds7

About 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 114802649) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID114802649
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-2)14-12(16)8-15-6-4-11(7-15)3-5-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyKJRMCCNJBYMHJS-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
2-(3-aminoazetidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63761326
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 114802649) is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is KJRMCCNJBYMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(9-17-2)14-12(16)8-15-6-4-11(7-15)3-5-13/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).