3-(3-aminoazetidin-1-yl)propanoic acid

C6H12N2O2 — CID 65249489

IUPAC3-(3-aminoazetidin-1-yl)propanoic acid
SMILESNC1CN(CCC(=O)O)C1
InChIInChI=1S/C6H12N2O2/c7-5-3-8(4-5)2-1-6(9)10/h5H,1-4,7H2,(H,9,10)
InChIKeyRKWBNKNFQPXJRC-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.90
Rot. Bonds3

About 3-(3-aminoazetidin-1-yl)propanoic acid

3-(3-aminoazetidin-1-yl)propanoic acid (PubChem CID 65249489) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)propanoic acid
PubChem CID65249489
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(3-aminoazetidin-1-yl)propanoic acid
SMILESNC1CN(CCC(=O)O)C1
InChIInChI=1S/C6H12N2O2/c7-5-3-8(4-5)2-1-6(9)10/h5H,1-4,7H2,(H,9,10)
InChIKeyRKWBNKNFQPXJRC-UHFFFAOYSA-N
XLogP-0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid
CID 170612695
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
3-[(3aS,6aS)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321994
3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
CID 83831530
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid
CID 83989477
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-aminoazetidin-1-yl)propanoic acid (CID 65249489) is 3-(3-aminoazetidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)propanoic acid is NC1CN(CCC(=O)O)C1.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)propanoic acid?
The InChIKey is RKWBNKNFQPXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5-3-8(4-5)2-1-6(9)10/h5H,1-4,7H2,(H,9,10).
What are the key properties of 3-(3-aminoazetidin-1-yl)propanoic acid?
3-(3-aminoazetidin-1-yl)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)propanoic acid is sourced from PubChem (CID 65249489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).