4-(2-phenoxybutanoylamino)butanoic acid

C14H19NO4 — CID 43091993

IUPAC4-(2-phenoxybutanoylamino)butanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NCCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-2-12(19-11-7-4-3-5-8-11)14(18)15-10-6-9-13(16)17/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyJKPBKLDLEZDRRT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.83
Rot. Bonds8

About 4-(2-phenoxybutanoylamino)butanoic acid

4-(2-phenoxybutanoylamino)butanoic acid (PubChem CID 43091993) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-phenoxybutanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-phenoxybutanoylamino)butanoic acid
PubChem CID43091993
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(2-phenoxybutanoylamino)butanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NCCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-2-12(19-11-7-4-3-5-8-11)14(18)15-10-6-9-13(16)17/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyJKPBKLDLEZDRRT-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(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
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
decanedioic acid;2-phenoxybutanoic acid
CID 69302201

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxybutanoylamino)butanoic acid?
The IUPAC name of 4-(2-phenoxybutanoylamino)butanoic acid (CID 43091993) is 4-(2-phenoxybutanoylamino)butanoic acid.
What is the SMILES notation for 4-(2-phenoxybutanoylamino)butanoic acid?
The canonical SMILES for 4-(2-phenoxybutanoylamino)butanoic acid is CCC(Oc1ccccc1)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-phenoxybutanoylamino)butanoic acid?
The InChIKey is JKPBKLDLEZDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-12(19-11-7-4-3-5-8-11)14(18)15-10-6-9-13(16)17/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-(2-phenoxybutanoylamino)butanoic acid?
4-(2-phenoxybutanoylamino)butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxybutanoylamino)butanoic acid is sourced from PubChem (CID 43091993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).