5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid

C15H16ClNO2 — CID 79597519

IUPAC5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16ClNO2/c16-13-9-8-12(10-4-1-2-5-11(10)13)14(17)6-3-7-15(18)19/h1-2,4-5,8-9,14H,3,6-7,17H2,(H,18,19)
InChIKeyFNFSDJIEUHFZLQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.75
Rot. Bonds5

About 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid

5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid (PubChem CID 79597519) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
PubChem CID79597519
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16ClNO2/c16-13-9-8-12(10-4-1-2-5-11(10)13)14(17)6-3-7-15(18)19/h1-2,4-5,8-9,14H,3,6-7,17H2,(H,18,19)
InChIKeyFNFSDJIEUHFZLQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123
(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
CID 165348822
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
4-amino-4-[2-chloro-4-(difluoromethyl)phenyl]butanoic acid
CID 117413959

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid?
The IUPAC name of 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid (CID 79597519) is 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid is NC(CCCC(=O)O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid?
The InChIKey is FNFSDJIEUHFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-9-8-12(10-4-1-2-5-11(10)13)14(17)6-3-7-15(18)19/h1-2,4-5,8-9,14H,3,6-7,17H2,(H,18,19).
What are the key properties of 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid?
5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid has a molecular weight of 277.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 79597519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).