1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid

C15H19NO4 — CID 81164696

IUPAC1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO4/c1-2-12(20-11-7-4-3-5-8-11)13(17)16-15(14(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBTWAXRKNPVEBLW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid

1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81164696) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
PubChem CID81164696
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO4/c1-2-12(20-11-7-4-3-5-8-11)13(17)16-15(14(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBTWAXRKNPVEBLW-UHFFFAOYSA-N
XLogP1.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119168045
(2R)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40584781
(2S)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40579727
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid (CID 81164696) is 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid is CCC(Oc1ccccc1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is BTWAXRKNPVEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-12(20-11-7-4-3-5-8-11)13(17)16-15(14(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid?
1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).