5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid

C15H23NO3 — CID 115218860

IUPAC5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
SMILESCOc1ccc(NCCCCC(=O)O)cc1C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)13-10-12(7-8-14(13)19-3)16-9-5-4-6-15(17)18/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyALVCPXFBLMEKAI-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.49
Rot. Bonds8

About 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid

5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid (PubChem CID 115218860) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
PubChem CID115218860
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
SMILESCOc1ccc(NCCCCC(=O)O)cc1C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)13-10-12(7-8-14(13)19-3)16-9-5-4-6-15(17)18/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyALVCPXFBLMEKAI-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
5-(4-methoxy-3-nitroanilino)pentanoic acid
CID 113385266
4-(3-ethyl-4-methoxyanilino)butanoic acid
CID 115218434
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
2-(4-methoxy-3-propan-2-ylanilino)ethanethiol
CID 115223639
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid (CID 115218860) is 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid is COc1ccc(NCCCCC(=O)O)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid?
The InChIKey is ALVCPXFBLMEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)13-10-12(7-8-14(13)19-3)16-9-5-4-6-15(17)18/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid?
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid is sourced from PubChem (CID 115218860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).