4-amino-4-(3-cyclopentylphenyl)butanoic acid

C15H21NO2 — CID 117371345

IUPAC4-amino-4-(3-cyclopentylphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cccc(C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c16-14(8-9-15(17)18)13-7-3-6-12(10-13)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9,16H2,(H,17,18)
InChIKeySJLPDHGMYQUGPR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.21
Rot. Bonds5

About 4-amino-4-(3-cyclopentylphenyl)butanoic acid

4-amino-4-(3-cyclopentylphenyl)butanoic acid (PubChem CID 117371345) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-4-(3-cyclopentylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(3-cyclopentylphenyl)butanoic acid
PubChem CID117371345
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-amino-4-(3-cyclopentylphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cccc(C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c16-14(8-9-15(17)18)13-7-3-6-12(10-13)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9,16H2,(H,17,18)
InChIKeySJLPDHGMYQUGPR-UHFFFAOYSA-N
XLogP3.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
3-amino-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117417985
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
4-amino-4-[3-(1-fluoroethyl)phenyl]butanoic acid
CID 117323405
4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid
CID 117301395
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
4-amino-4-(4-cyclopropyl-3-methoxyphenyl)butanoic acid
CID 117376411
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-cyclopentylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(3-cyclopentylphenyl)butanoic acid (CID 117371345) is 4-amino-4-(3-cyclopentylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(3-cyclopentylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(3-cyclopentylphenyl)butanoic acid is NC(CCC(=O)O)c1cccc(C2CCCC2)c1.
What is the InChIKey of 4-amino-4-(3-cyclopentylphenyl)butanoic acid?
The InChIKey is SJLPDHGMYQUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-14(8-9-15(17)18)13-7-3-6-12(10-13)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9,16H2,(H,17,18).
What are the key properties of 4-amino-4-(3-cyclopentylphenyl)butanoic acid?
4-amino-4-(3-cyclopentylphenyl)butanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-cyclopentylphenyl)butanoic acid is sourced from PubChem (CID 117371345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).