2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid

C12H22N2O3 — CID 107141931

IUPAC2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
SMILESCN(CCOCC1CC1)C1(CC(=O)O)CNC1
InChIInChI=1S/C12H22N2O3/c1-14(4-5-17-7-10-2-3-10)12(6-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyIBLDMHIVTDGFIQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.16
Rot. Bonds8

About 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid

2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid (PubChem CID 107141931) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
PubChem CID107141931
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
SMILESCN(CCOCC1CC1)C1(CC(=O)O)CNC1
InChIInChI=1S/C12H22N2O3/c1-14(4-5-17-7-10-2-3-10)12(6-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyIBLDMHIVTDGFIQ-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid (CID 107141931) is 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid is CN(CCOCC1CC1)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid?
The InChIKey is IBLDMHIVTDGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(4-5-17-7-10-2-3-10)12(6-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).