3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid

C15H23NO3 — CID 65233979

IUPAC3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-16-15(4,10-14(17)18)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyBCEBKPVAHTWZQX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds7

About 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid

3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid (PubChem CID 65233979) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
PubChem CID65233979
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-16-15(4,10-14(17)18)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyBCEBKPVAHTWZQX-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
CID 65233928
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180
2,2,3,3-tetramethyl-4,4-bis(4-propan-2-yloxyphenyl)hexanedioic acid
CID 19013093
3-(ethylamino)-3-(4-propoxyphenyl)butanamide
CID 65234068
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
2-anilino-2-(4-propan-2-yloxyphenyl)propan-1-ol
CID 61046598

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid?
The IUPAC name of 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid (CID 65233979) is 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid is CCNC(C)(CC(=O)O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid?
The InChIKey is BCEBKPVAHTWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16-15(4,10-14(17)18)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid?
3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid is sourced from PubChem (CID 65233979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).