4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid

C15H23NO3 — CID 82350676

IUPAC4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid
SMILESCCOc1ccc(CC(CC(=O)O)NC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)9-13(10-15(17)18)16-11(2)3/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHDZKSRGCBNDMID-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds8

About 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid

4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid (PubChem CID 82350676) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid
PubChem CID82350676
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid
SMILESCCOc1ccc(CC(CC(=O)O)NC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)9-13(10-15(17)18)16-11(2)3/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHDZKSRGCBNDMID-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoate
CID 82351403
(2S)-3-(4-ethoxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138647481
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 82352342
4-(4-fluoro-3-methylphenyl)-3-(propan-2-ylamino)butanoic acid
CID 82350847
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid (CID 82350676) is 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid is CCOc1ccc(CC(CC(=O)O)NC(C)C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid?
The InChIKey is HDZKSRGCBNDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)9-13(10-15(17)18)16-11(2)3/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid?
4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 82350676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).