methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate

C13H16FNO2 — CID 115041992

IUPACmethyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
SMILESCOC(=O)C(C)(N)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H16FNO2/c1-12(15,11(16)17-2)13(6-7-13)9-4-3-5-10(14)8-9/h3-5,8H,6-7,15H2,1-2H3
InChIKeyDFRGJTRNEQPRPF-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate

methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate (PubChem CID 115041992) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
PubChem CID115041992
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
SMILESCOC(=O)C(C)(N)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H16FNO2/c1-12(15,11(16)17-2)13(6-7-13)9-4-3-5-10(14)8-9/h3-5,8H,6-7,15H2,1-2H3
InChIKeyDFRGJTRNEQPRPF-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate?
The IUPAC name of methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate (CID 115041992) is methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate.
What is the SMILES notation for methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate?
The canonical SMILES for methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate is COC(=O)C(C)(N)C1(c2cccc(F)c2)CC1.
What is the InChIKey of methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate?
The InChIKey is DFRGJTRNEQPRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-12(15,11(16)17-2)13(6-7-13)9-4-3-5-10(14)8-9/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate?
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate has a molecular weight of 237.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate is sourced from PubChem (CID 115041992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).