2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid

C14H19NO5 — CID 83050258

IUPAC2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid
SMILESCCCC(OC(=O)CCOc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-2-3-12(14(17)18)20-13(16)8-9-19-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9,15H2,1H3,(H,17,18)
InChIKeyXNSLBADFALMVCC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.83
Rot. Bonds8

About 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid

2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid (PubChem CID 83050258) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid.

Molecular Properties

Compound Name2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid
PubChem CID83050258
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid
SMILESCCCC(OC(=O)CCOc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-2-3-12(14(17)18)20-13(16)8-9-19-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9,15H2,1H3,(H,17,18)
InChIKeyXNSLBADFALMVCC-UHFFFAOYSA-N
XLogP1.83
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methylpentyl 3-(4-aminophenoxy)propanoate
CID 55055916
2-[3-(4-aminophenyl)propanoyloxy]butanoic acid
CID 64663009
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
propyl 3-phenoxypropanoate
CID 43389568
4-(4-aminophenoxy)butanoic acid
CID 14451763
(1-amino-1-oxopropan-2-yl) 3-(4-methylphenoxy)propanoate
CID 42901568
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-(3,5-diaminobenzoyl)oxypentanoic acid
CID 83048881

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid?
The IUPAC name of 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid (CID 83050258) is 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid.
What is the SMILES notation for 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid?
The canonical SMILES for 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid is CCCC(OC(=O)CCOc1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid?
The InChIKey is XNSLBADFALMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-3-12(14(17)18)20-13(16)8-9-19-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9,15H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid?
2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid is sourced from PubChem (CID 83050258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).