2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid

C12H12FNO3 — CID 110466030

IUPAC2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C12H12FNO3/c13-9-4-2-1-3-8(9)12(5-6-12)11(17)14-7-10(15)16/h1-4H,5-7H2,(H,14,17)(H,15,16)
InChIKeyFBTHSICOXVOHAD-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.06
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid

2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid (PubChem CID 110466030) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
PubChem CID110466030
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C12H12FNO3/c13-9-4-2-1-3-8(9)12(5-6-12)11(17)14-7-10(15)16/h1-4H,5-7H2,(H,14,17)(H,15,16)
InChIKeyFBTHSICOXVOHAD-UHFFFAOYSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110486472
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 111434836
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid (CID 110466030) is 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid is O=C(O)CNC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is FBTHSICOXVOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-4-2-1-3-8(9)12(5-6-12)11(17)14-7-10(15)16/h1-4H,5-7H2,(H,14,17)(H,15,16).
What are the key properties of 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 110466030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).