2-(naphthalen-1-ylamino)-5-oxopentanoic acid

C15H15NO3 — CID 144900883

IUPAC2-(naphthalen-1-ylamino)-5-oxopentanoic acid
SMILESO=CCCC(Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO3/c17-10-4-9-14(15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,10,14,16H,4,9H2,(H,18,19)
InChIKeyRLTRHDGKKDDAGI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.68
Rot. Bonds6

About 2-(naphthalen-1-ylamino)-5-oxopentanoic acid

2-(naphthalen-1-ylamino)-5-oxopentanoic acid (PubChem CID 144900883) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-5-oxopentanoic acid
PubChem CID144900883
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(naphthalen-1-ylamino)-5-oxopentanoic acid
SMILESO=CCCC(Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO3/c17-10-4-9-14(15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,10,14,16H,4,9H2,(H,18,19)
InChIKeyRLTRHDGKKDDAGI-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
CID 174526568
3,3,3-trifluoro-2-[(naphthalen-1-ylamino)methyl]propanoic acid
CID 103231545

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The IUPAC name of 2-(naphthalen-1-ylamino)-5-oxopentanoic acid (CID 144900883) is 2-(naphthalen-1-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylamino)-5-oxopentanoic acid is O=CCCC(Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The InChIKey is RLTRHDGKKDDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-10-4-9-14(15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,10,14,16H,4,9H2,(H,18,19).
What are the key properties of 2-(naphthalen-1-ylamino)-5-oxopentanoic acid?
2-(naphthalen-1-ylamino)-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 144900883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).