2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde

C7H12N2O2 — CID 144669065

IUPAC2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde
SMILESCC(=O)N1CC(C(N)C=O)C1
InChIInChI=1S/C7H12N2O2/c1-5(11)9-2-6(3-9)7(8)4-10/h4,6-7H,2-3,8H2,1H3
InChIKeyOYYMCGJLAWQOMH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.01
Rot. Bonds2

About 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde

2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde (PubChem CID 144669065) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde.

Molecular Properties

Compound Name2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde
PubChem CID144669065
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde
SMILESCC(=O)N1CC(C(N)C=O)C1
InChIInChI=1S/C7H12N2O2/c1-5(11)9-2-6(3-9)7(8)4-10/h4,6-7H,2-3,8H2,1H3
InChIKeyOYYMCGJLAWQOMH-UHFFFAOYSA-N
XLogP-1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 115006765
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 116939114
2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
CID 90299465
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
CID 145279444
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 83989143
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-acetylazetidine-3-sulfonamide
CID 137380120

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde?
The IUPAC name of 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde (CID 144669065) is 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde.
What is the SMILES notation for 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde?
The canonical SMILES for 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde is CC(=O)N1CC(C(N)C=O)C1.
What is the InChIKey of 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde?
The InChIKey is OYYMCGJLAWQOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(11)9-2-6(3-9)7(8)4-10/h4,6-7H,2-3,8H2,1H3.
What are the key properties of 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde?
2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde has a molecular weight of 156.19 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde is sourced from PubChem (CID 144669065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).