4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid

C14H20N2O3 — CID 117415418

IUPAC4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CC(Oc2ccc(C(N)CCC(=O)O)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-16-8-12(9-16)19-11-4-2-10(3-5-11)13(15)6-7-14(17)18/h2-5,12-13H,6-9,15H2,1H3,(H,17,18)
InChIKeyFGGBTOHOQUCELM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid

4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid (PubChem CID 117415418) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
PubChem CID117415418
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CC(Oc2ccc(C(N)CCC(=O)O)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-16-8-12(9-16)19-11-4-2-10(3-5-11)13(15)6-7-14(17)18/h2-5,12-13H,6-9,15H2,1H3,(H,17,18)
InChIKeyFGGBTOHOQUCELM-UHFFFAOYSA-N
XLogP1.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-[4-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447904
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
4-amino-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanoic acid
CID 117470899
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
3-[4-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117338485
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The IUPAC name of 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid (CID 117415418) is 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid.
What is the SMILES notation for 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The canonical SMILES for 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid is CN1CC(Oc2ccc(C(N)CCC(=O)O)cc2)C1.
What is the InChIKey of 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The InChIKey is FGGBTOHOQUCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-8-12(9-16)19-11-4-2-10(3-5-11)13(15)6-7-14(17)18/h2-5,12-13H,6-9,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid is sourced from PubChem (CID 117415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).