methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate

C13H14FNO3 — CID 130277314

IUPACmethyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11(15-12(16)9-2-3-9)8-4-6-10(14)7-5-8/h4-7,9,11H,2-3H2,1H3,(H,15,16)
InChIKeyRFLLFPRDIPNLSV-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate

methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate (PubChem CID 130277314) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
PubChem CID130277314
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Namemethyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11(15-12(16)9-2-3-9)8-4-6-10(14)7-5-8/h4-7,9,11H,2-3H2,1H3,(H,15,16)
InChIKeyRFLLFPRDIPNLSV-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(cyclopropanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95289567
methyl 2-(4-fluorophenyl)-2-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonylamino)acetate
CID 90640250
methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95284034
methyl 2-(4-fluorophenyl)-2-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)amino]acetate
CID 90640655
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 137441255
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
CID 124514051

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate (CID 130277314) is methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate is COC(=O)C(NC(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate?
The InChIKey is RFLLFPRDIPNLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-13(17)11(15-12(16)9-2-3-9)8-4-6-10(14)7-5-8/h4-7,9,11H,2-3H2,1H3,(H,15,16).
What are the key properties of methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate?
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate has a molecular weight of 251.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 130277314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).