2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid

C16H23NO3 — CID 116684643

IUPAC2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C)Oc1cccc(CN2CC(C(C)C(=O)O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)20-15-6-4-5-13(7-15)8-17-9-14(10-17)12(3)16(18)19/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyWUYFNDUUZWDEFM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.63
Rot. Bonds6

About 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid

2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684643) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116684643
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C)Oc1cccc(CN2CC(C(C)C(=O)O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)20-15-6-4-5-13(7-15)8-17-9-14(10-17)12(3)16(18)19/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyWUYFNDUUZWDEFM-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 166296635
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
1-[(3-propan-2-yloxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708071
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[1-[(3-cyano-4-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684229

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid (CID 116684643) is 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid is CC(C)Oc1cccc(CN2CC(C(C)C(=O)O)C2)c1.
What is the InChIKey of 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is WUYFNDUUZWDEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)20-15-6-4-5-13(7-15)8-17-9-14(10-17)12(3)16(18)19/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).