2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde

C8H14N2O2 — CID 178167886

IUPAC2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
SMILESNCC(=O)N1CCC(CC=O)C1
InChIInChI=1S/C8H14N2O2/c9-5-8(12)10-3-1-7(6-10)2-4-11/h4,7H,1-3,5-6,9H2
InChIKeyAZRDFXUCLHKJMY-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.62
Rot. Bonds3

About 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde

2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde (PubChem CID 178167886) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
PubChem CID178167886
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
SMILESNCC(=O)N1CCC(CC=O)C1
InChIInChI=1S/C8H14N2O2/c9-5-8(12)10-3-1-7(6-10)2-4-11/h4,7H,1-3,5-6,9H2
InChIKeyAZRDFXUCLHKJMY-UHFFFAOYSA-N
XLogP-0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.62
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

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 21137004
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 22853811
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 22887901
1-(2-Amino-3-methylpentanoyl)pyrrolidine-2-carbaldehyde
CID 18411456
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carbaldehyde
CID 18411460
2-[1-[2-(Methylamino)-2-oxoethyl]-2-oxopyrrolidin-3-yl]acetamide
CID 19705570
1-(2-Amino-3-methylbutanoyl)pyrrolidine-2-carbaldehyde
CID 20188860
2-[3-(2-Aminoethyl)-2-oxopyrrolidin-1-yl]acetamide
CID 20544069
(2S)-1-acetyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 53657661
(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 57322775
1-(2-Aminoacetyl)piperidine-4-carbaldehyde
CID 87424998
1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 89061806

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde?
The IUPAC name of 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde (CID 178167886) is 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde is NCC(=O)N1CCC(CC=O)C1.
What is the InChIKey of 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde?
The InChIKey is AZRDFXUCLHKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-5-8(12)10-3-1-7(6-10)2-4-11/h4,7H,1-3,5-6,9H2.
What are the key properties of 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde?
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde has a molecular weight of 170.21 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde is sourced from PubChem (CID 178167886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).