2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid

C15H19NO3 — CID 104768932

IUPAC2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C15H19NO3/c17-15(18)7-11-8-16(9-11)10-12-5-6-19-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyZTNXJPZVWJGLLE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds4

About 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid (PubChem CID 104768932) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
PubChem CID104768932
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C15H19NO3/c17-15(18)7-11-8-16(9-11)10-12-5-6-19-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyZTNXJPZVWJGLLE-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
3-(2-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771448
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-3-carboxylate
CID 115880145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid (CID 104768932) is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CC2CCOc3ccccc32)C1.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid?
The InChIKey is ZTNXJPZVWJGLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)7-11-8-16(9-11)10-12-5-6-19-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10H2,(H,17,18).
What are the key properties of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid?
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 104768932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).