methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate

C14H18FNO2 — CID 114832026

IUPACmethyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(Cc1cccc(F)c1)NC1CC1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18-2,16-12-6-7-12)9-10-4-3-5-11(15)8-10/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyBDTTXZNVGSYHQD-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate

methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate (PubChem CID 114832026) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
PubChem CID114832026
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(Cc1cccc(F)c1)NC1CC1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18-2,16-12-6-7-12)9-10-4-3-5-11(15)8-10/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyBDTTXZNVGSYHQD-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
methyl 2-(cyclopropylamino)-2-methyl-3-[(3-methylphenyl)methylsulfanyl]propanoate
CID 62766075
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
CID 10587890
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate (CID 114832026) is methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate is COC(=O)C(C)(Cc1cccc(F)c1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate?
The InChIKey is BDTTXZNVGSYHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(13(17)18-2,16-12-6-7-12)9-10-4-3-5-11(15)8-10/h3-5,8,12,16H,6-7,9H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate?
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate has a molecular weight of 251.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 114832026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).