2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid

C14H26N2O4 — CID 106004575

IUPAC2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OCCCCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)20-7-5-4-6-15-14(19)16-8-12(9-16)11(3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDNOZDYBITOFPSP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds8

About 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid

2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 106004575) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID106004575
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OCCCCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)20-7-5-4-6-15-14(19)16-8-12(9-16)11(3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDNOZDYBITOFPSP-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866
2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid (CID 106004575) is 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C)OCCCCNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is DNOZDYBITOFPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)20-7-5-4-6-15-14(19)16-8-12(9-16)11(3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 106004575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).