4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid

C16H23NO3 — CID 82352342

IUPAC4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
SMILESCCOc1ccc(CC(CC(=O)O)N2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)11-14(12-16(18)19)17-9-3-4-10-17/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyANZLHXFBCRGVQA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.57
Rot. Bonds7

About 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid

4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid (PubChem CID 82352342) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
PubChem CID82352342
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
SMILESCCOc1ccc(CC(CC(=O)O)N2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)11-14(12-16(18)19)17-9-3-4-10-17/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyANZLHXFBCRGVQA-UHFFFAOYSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid
CID 82350676
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)butanoic acid
CID 82352281
2-(4-ethoxyphenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)acetamide
CID 110403492
4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352205
2-[7-[1-carboxy-2-(4-ethoxyphenyl)ethyl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
CID 165174725
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid (CID 82352342) is 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid is CCOc1ccc(CC(CC(=O)O)N2CCCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid?
The InChIKey is ANZLHXFBCRGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)11-14(12-16(18)19)17-9-3-4-10-17/h5-8,14H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid?
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 82352342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).