2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid

C16H20FNO3 — CID 119955287

IUPAC2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-3-10(2)18(9-15(19)20)16(21)14-8-13(14)11-4-6-12(17)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyCAWJPHMFIXNWRB-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.64
Rot. Bonds6

About 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid

2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid (PubChem CID 119955287) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
PubChem CID119955287
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-3-10(2)18(9-15(19)20)16(21)14-8-13(14)11-4-6-12(17)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyCAWJPHMFIXNWRB-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid (CID 119955287) is 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is CAWJPHMFIXNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-10(2)18(9-15(19)20)16(21)14-8-13(14)11-4-6-12(17)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).