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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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).