4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid

C15H19NO4 — CID 110466088

IUPAC4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCOc1ccccc1C1(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-20-12-6-3-2-5-11(12)15(8-9-15)14(19)16-10-4-7-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyJDYZNLMWILGHQL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds7

About 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid

4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid (PubChem CID 110466088) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
PubChem CID110466088
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCOc1ccccc1C1(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-20-12-6-3-2-5-11(12)15(8-9-15)14(19)16-10-4-7-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyJDYZNLMWILGHQL-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid (CID 110466088) is 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid is COc1ccccc1C1(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is JDYZNLMWILGHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-6-3-2-5-11(12)15(8-9-15)14(19)16-10-4-7-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 110466088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).