4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid

C17H25NO3 — CID 116694243

IUPAC4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
SMILESCCNC(CCOC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-18-17(16(19)20,14-8-4-3-5-9-14)12-13-21-15-10-6-7-11-15/h3-5,8-9,15,18H,2,6-7,10-13H2,1H3,(H,19,20)
InChIKeyXAJNPPRFGQUCFD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.93
Rot. Bonds8

About 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid

4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid (PubChem CID 116694243) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
PubChem CID116694243
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
SMILESCCNC(CCOC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-18-17(16(19)20,14-8-4-3-5-9-14)12-13-21-15-10-6-7-11-15/h3-5,8-9,15,18H,2,6-7,10-13H2,1H3,(H,19,20)
InChIKeyXAJNPPRFGQUCFD-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
CID 116693828
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
CID 116694362
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid?
The IUPAC name of 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid (CID 116694243) is 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid?
The canonical SMILES for 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid is CCNC(CCOC1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid?
The InChIKey is XAJNPPRFGQUCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-18-17(16(19)20,14-8-4-3-5-9-14)12-13-21-15-10-6-7-11-15/h3-5,8-9,15,18H,2,6-7,10-13H2,1H3,(H,19,20).
What are the key properties of 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid?
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 116694243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).