methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate

C12H14FNO2 — CID 66593115

IUPACmethyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(N)(c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H14FNO2/c1-16-11(15)12(14,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3
InChIKeyBUDYYZPAUGEINW-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds3

About methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate

methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate (PubChem CID 66593115) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
PubChem CID66593115
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(N)(c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H14FNO2/c1-16-11(15)12(14,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3
InChIKeyBUDYYZPAUGEINW-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propoxybutanoate
CID 106509489
methyl (2R)-2-(3-fluorophenyl)-2-hydroxypent-4-enoate
CID 23656504
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
CID 115041992
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate (CID 66593115) is methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate is COC(=O)C(N)(c1cccc(F)c1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate?
The InChIKey is BUDYYZPAUGEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-11(15)12(14,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate?
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate has a molecular weight of 223.25 g/mol, XLogP of 1.56, 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-cyclopropyl-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 66593115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).