2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C12H25N3O2 — CID 55030129

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCC(N)C1
InChIInChI=1S/C12H25N3O2/c1-10(2)17-7-3-5-14-12(16)9-15-6-4-11(13)8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyQJOLLIOBCQOCMI-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds7

About 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 55030129) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID55030129
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCC(N)C1
InChIInChI=1S/C12H25N3O2/c1-10(2)17-7-3-5-14-12(16)9-15-6-4-11(13)8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyQJOLLIOBCQOCMI-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
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-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
CID 66433883
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 115305282
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 55030129) is 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is QJOLLIOBCQOCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)17-7-3-5-14-12(16)9-15-6-4-11(13)8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 55030129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).