4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid

C16H23NO3 — CID 117444524

IUPAC4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
SMILESCc1cccc(OC2CCCC2)c1C(N)CCC(=O)O
InChIInChI=1S/C16H23NO3/c1-11-5-4-8-14(20-12-6-2-3-7-12)16(11)13(17)9-10-15(18)19/h4-5,8,12-13H,2-3,6-7,9-10,17H2,1H3,(H,18,19)
InChIKeyGLTHNFMQOZRSCY-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.18
Rot. Bonds6

About 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid

4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid (PubChem CID 117444524) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
PubChem CID117444524
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
SMILESCc1cccc(OC2CCCC2)c1C(N)CCC(=O)O
InChIInChI=1S/C16H23NO3/c1-11-5-4-8-14(20-12-6-2-3-7-12)16(11)13(17)9-10-15(18)19/h4-5,8,12-13H,2-3,6-7,9-10,17H2,1H3,(H,18,19)
InChIKeyGLTHNFMQOZRSCY-UHFFFAOYSA-N
XLogP3.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
CID 117412986
4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
CID 117456098
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
4-amino-4-(2-bromo-6-methoxyphenyl)butanoic acid
CID 117464771
4-amino-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 117361097
5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484177
4-amino-4-[2-(1,1-dioxothietan-3-yl)oxyphenyl]butanoic acid
CID 117482244
4-amino-4-(3,6-dimethoxy-2-methylphenyl)butanoic acid
CID 117385782
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
CID 91093858

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid (CID 117444524) is 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid is Cc1cccc(OC2CCCC2)c1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid?
The InChIKey is GLTHNFMQOZRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-5-4-8-14(20-12-6-2-3-7-12)16(11)13(17)9-10-15(18)19/h4-5,8,12-13H,2-3,6-7,9-10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid?
4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid is sourced from PubChem (CID 117444524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).