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

C9H17NO3 — CID 166535347

IUPAC3-[3-(azetidin-1-yl)propoxy]propanoic acid
SMILESO=C(O)CCOCCCN1CCC1
InChIInChI=1S/C9H17NO3/c11-9(12)3-8-13-7-2-6-10-4-1-5-10/h1-8H2,(H,11,12)
InChIKeyVHBMNSIFAXZOBJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds7

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

3-[3-(azetidin-1-yl)propoxy]propanoic acid (PubChem CID 166535347) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[3-(azetidin-1-yl)propoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-(azetidin-1-yl)propoxy]propanoic acid
PubChem CID166535347
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[3-(azetidin-1-yl)propoxy]propanoic acid
SMILESO=C(O)CCOCCCN1CCC1
InChIInChI=1S/C9H17NO3/c11-9(12)3-8-13-7-2-6-10-4-1-5-10/h1-8H2,(H,11,12)
InChIKeyVHBMNSIFAXZOBJ-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
3-(4-hexyl-1,4-diazepan-1-yl)propanoic acid
CID 82323042
6-(aziridin-1-yl)hexanoic acid
CID 141385441
3-[3-ethoxypropyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329925
3-(3-chloropropoxy)propanoic acid
CID 139466020
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-1-yl)propoxy]propanoic acid?
The IUPAC name of 3-[3-(azetidin-1-yl)propoxy]propanoic acid (CID 166535347) is 3-[3-(azetidin-1-yl)propoxy]propanoic acid.
What is the SMILES notation for 3-[3-(azetidin-1-yl)propoxy]propanoic acid?
The canonical SMILES for 3-[3-(azetidin-1-yl)propoxy]propanoic acid is O=C(O)CCOCCCN1CCC1.
What is the InChIKey of 3-[3-(azetidin-1-yl)propoxy]propanoic acid?
The InChIKey is VHBMNSIFAXZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-9(12)3-8-13-7-2-6-10-4-1-5-10/h1-8H2,(H,11,12).
What are the key properties of 3-[3-(azetidin-1-yl)propoxy]propanoic acid?
3-[3-(azetidin-1-yl)propoxy]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azetidin-1-yl)propoxy]propanoic acid is sourced from PubChem (CID 166535347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).