2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

C16H20FNO3 — CID 43467516

IUPAC2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20FNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPPTWETXYMINPHT-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds4

About 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 43467516) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID43467516
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20FNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPPTWETXYMINPHT-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746
(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
(2R)-2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926387
2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467961
(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
CID 107821490
(E)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]hex-4-enoic acid
CID 120693134
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 43360385
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (CID 43467516) is 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is PPTWETXYMINPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 293.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).