[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate

C12H14FNO2 — CID 90873391

IUPAC[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
SMILESNCC(=O)OC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-12(5-6-12)16-11(15)8-14/h1-4H,5-8,14H2
InChIKeyAIDPXXGSFIRTMT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.40
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate

[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate (PubChem CID 90873391) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
PubChem CID90873391
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
SMILESNCC(=O)OC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-12(5-6-12)16-11(15)8-14/h1-4H,5-8,14H2
InChIKeyAIDPXXGSFIRTMT-UHFFFAOYSA-N
XLogP1.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate (CID 90873391) is [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate is NCC(=O)OC1(Cc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate?
The InChIKey is AIDPXXGSFIRTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-12(5-6-12)16-11(15)8-14/h1-4H,5-8,14H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate?
[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate has a molecular weight of 223.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate is sourced from PubChem (CID 90873391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).