methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate

C13H16FNO3 — CID 63919008

IUPACmethyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
SMILESCOC(=O)C(N)(COc1ccccc1F)C1CC1
InChIInChI=1S/C13H16FNO3/c1-17-12(16)13(15,9-6-7-9)8-18-11-5-3-2-4-10(11)14/h2-5,9H,6-8,15H2,1H3
InChIKeyZIGMBKQRPRWFAL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate

methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate (PubChem CID 63919008) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
PubChem CID63919008
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
SMILESCOC(=O)C(N)(COc1ccccc1F)C1CC1
InChIInChI=1S/C13H16FNO3/c1-17-12(16)13(15,9-6-7-9)8-18-11-5-3-2-4-10(11)14/h2-5,9H,6-8,15H2,1H3
InChIKeyZIGMBKQRPRWFAL-UHFFFAOYSA-N
XLogP1.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
2-amino-2-cyclopropyl-3-(2-ethoxyphenoxy)propanamide
CID 63919391
methyl 2-amino-2-cyclopropyl-3-(3-fluoro-4-nitrophenoxy)propanoate
CID 63920916
(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
CID 2426701
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide
CID 63920907
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate (CID 63919008) is methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate is COC(=O)C(N)(COc1ccccc1F)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate?
The InChIKey is ZIGMBKQRPRWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-12(16)13(15,9-6-7-9)8-18-11-5-3-2-4-10(11)14/h2-5,9H,6-8,15H2,1H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate?
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate has a molecular weight of 253.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate is sourced from PubChem (CID 63919008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).