3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid

C9H16N2O2 — CID 170612695

IUPAC3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid
SMILESNC1(C2CN(CCC(=O)O)C2)CC1
InChIInChI=1S/C9H16N2O2/c10-9(2-3-9)7-5-11(6-7)4-1-8(12)13/h7H,1-6,10H2,(H,12,13)
InChIKeyPRBLWHAMNGZBOJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.12
Rot. Bonds4

About 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid

3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid (PubChem CID 170612695) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid
PubChem CID170612695
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid
SMILESNC1(C2CN(CCC(=O)O)C2)CC1
InChIInChI=1S/C9H16N2O2/c10-9(2-3-9)7-5-11(6-7)4-1-8(12)13/h7H,1-6,10H2,(H,12,13)
InChIKeyPRBLWHAMNGZBOJ-UHFFFAOYSA-N
XLogP-0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoazetidin-1-yl)propanoic acid
CID 65249489
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[(3aS,6aS)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321994
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
3-(4,4-difluoro-3-methylpiperidin-1-yl)propanoic acid
CID 130669966
3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
CID 83831530
3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
CID 126990330
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
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-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid (CID 170612695) is 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid is NC1(C2CN(CCC(=O)O)C2)CC1.
What is the InChIKey of 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid?
The InChIKey is PRBLWHAMNGZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(2-3-9)7-5-11(6-7)4-1-8(12)13/h7H,1-6,10H2,(H,12,13).
What are the key properties of 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid?
3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid has a molecular weight of 184.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopropyl)azetidin-1-yl]propanoic acid is sourced from PubChem (CID 170612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).