5-(naphthalen-2-ylamino)pentanoic acid

C15H17NO2 — CID 28972022

IUPAC5-(naphthalen-2-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c17-15(18)7-3-4-10-16-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,16H,3-4,7,10H2,(H,17,18)
InChIKeyCYWZVHVGKXHKHX-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds6

About 5-(naphthalen-2-ylamino)pentanoic acid

5-(naphthalen-2-ylamino)pentanoic acid (PubChem CID 28972022) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(naphthalen-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(naphthalen-2-ylamino)pentanoic acid
PubChem CID28972022
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-(naphthalen-2-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c17-15(18)7-3-4-10-16-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,16H,3-4,7,10H2,(H,17,18)
InChIKeyCYWZVHVGKXHKHX-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
5-anilinopentanoic acid
CID 28972030
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
6-(1-benzothiophen-5-ylamino)hexanoic acid
CID 65476249
N-hexadecylnaphthalen-2-amine
CID 12796089
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
CID 154809748
6-[[(Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845258
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
3-(naphthalen-2-ylamino)-N-propylpropanamide
CID 62020504
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylamino)pentanoic acid?
The IUPAC name of 5-(naphthalen-2-ylamino)pentanoic acid (CID 28972022) is 5-(naphthalen-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(naphthalen-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(naphthalen-2-ylamino)pentanoic acid is O=C(O)CCCCNc1ccc2ccccc2c1.
What is the InChIKey of 5-(naphthalen-2-ylamino)pentanoic acid?
The InChIKey is CYWZVHVGKXHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)7-3-4-10-16-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,16H,3-4,7,10H2,(H,17,18).
What are the key properties of 5-(naphthalen-2-ylamino)pentanoic acid?
5-(naphthalen-2-ylamino)pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylamino)pentanoic acid is sourced from PubChem (CID 28972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).