2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid

C14H19FN2O3 — CID 90345466

IUPAC2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid
SMILESNC(Cc1cc(OCCF)ccc1N1CCC1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c15-4-7-20-11-2-3-13(17-5-1-6-17)10(8-11)9-12(16)14(18)19/h2-3,8,12H,1,4-7,9,16H2,(H,18,19)
InChIKeyKVPVAJCQWAWOOQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.20
Rot. Bonds7

About 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid

2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid (PubChem CID 90345466) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid
PubChem CID90345466
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid
SMILESNC(Cc1cc(OCCF)ccc1N1CCC1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c15-4-7-20-11-2-3-13(17-5-1-6-17)10(8-11)9-12(16)14(18)19/h2-3,8,12H,1,4-7,9,16H2,(H,18,19)
InChIKeyKVPVAJCQWAWOOQ-UHFFFAOYSA-N
XLogP1.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[5-(2-fluoroethoxy)-2-(fluoromethyl)phenyl]propanoic acid
CID 90345475
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
(2S)-2-amino-3-[5-(2-fluoroethoxy)-1H-indol-3-yl]propanoic acid
CID 91265595
2-amino-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanoic acid
CID 170879305
2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
CID 144937795
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
CID 134093258
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
2-amino-4-[[4-(3-(18F)fluoropropoxy)phenyl]methyl]pentanedioic acid
CID 70675127

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid (CID 90345466) is 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid is NC(Cc1cc(OCCF)ccc1N1CCC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid?
The InChIKey is KVPVAJCQWAWOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-4-7-20-11-2-3-13(17-5-1-6-17)10(8-11)9-12(16)14(18)19/h2-3,8,12H,1,4-7,9,16H2,(H,18,19).
What are the key properties of 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid?
2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid has a molecular weight of 282.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid is sourced from PubChem (CID 90345466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).