methyl 1-amino-3-fluorocyclopentane-1-carboxylate

C7H12FNO2 — CID 115012639

IUPACmethyl 1-amino-3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(F)C1
InChIInChI=1S/C7H12FNO2/c1-11-6(10)7(9)3-2-5(8)4-7/h5H,2-4,9H2,1H3
InChIKeyJMORLQDVHZULNC-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.38
Rot. Bonds1

About methyl 1-amino-3-fluorocyclopentane-1-carboxylate

methyl 1-amino-3-fluorocyclopentane-1-carboxylate (PubChem CID 115012639) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is methyl 1-amino-3-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-fluorocyclopentane-1-carboxylate
PubChem CID115012639
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Namemethyl 1-amino-3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(F)C1
InChIInChI=1S/C7H12FNO2/c1-11-6(10)7(9)3-2-5(8)4-7/h5H,2-4,9H2,1H3
InChIKeyJMORLQDVHZULNC-UHFFFAOYSA-N
XLogP0.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-amino-3-fluorocyclopentane-1-carboxylate 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 1-amino-3-fluorocyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-fluorocyclopentane-1-carboxylate (CID 115012639) is methyl 1-amino-3-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-fluorocyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-fluorocyclopentane-1-carboxylate is COC(=O)C1(N)CCC(F)C1.
What is the InChIKey of methyl 1-amino-3-fluorocyclopentane-1-carboxylate?
The InChIKey is JMORLQDVHZULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-11-6(10)7(9)3-2-5(8)4-7/h5H,2-4,9H2,1H3.
What are the key properties of methyl 1-amino-3-fluorocyclopentane-1-carboxylate?
methyl 1-amino-3-fluorocyclopentane-1-carboxylate has a molecular weight of 161.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 115012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).