methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate

C14H14FN3O3 — CID 146329035

IUPACmethyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C#N)cc1F
InChIInChI=1S/C14H14FN3O3/c1-21-13(19)8-17-14(20)12-4-5-18(12)11-3-2-9(7-16)6-10(11)15/h2-3,6,12H,4-5,8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyHANRLCMEGIJXIE-LBPRGKRZSA-N
MW291.28 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate

methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate (PubChem CID 146329035) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate
PubChem CID146329035
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C#N)cc1F
InChIInChI=1S/C14H14FN3O3/c1-21-13(19)8-17-14(20)12-4-5-18(12)11-3-2-9(7-16)6-10(11)15/h2-3,6,12H,4-5,8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyHANRLCMEGIJXIE-LBPRGKRZSA-N
XLogP0.57
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate (CID 146329035) is methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C#N)cc1F.
What is the InChIKey of methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate?
The InChIKey is HANRLCMEGIJXIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-21-13(19)8-17-14(20)12-4-5-18(12)11-3-2-9(7-16)6-10(11)15/h2-3,6,12H,4-5,8H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate?
methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate has a molecular weight of 291.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-1-(4-cyano-2-fluorophenyl)azetidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 146329035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).