4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid

C15H17NO3 — CID 82348137

IUPAC4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid
SMILESNC(CCC(=O)O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c16-13(7-8-14(17)18)15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15,19H,7-8,16H2,(H,17,18)
InChIKeyJCCIOKBSPIPOML-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid

4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid (PubChem CID 82348137) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid
PubChem CID82348137
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid
SMILESNC(CCC(=O)O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c16-13(7-8-14(17)18)15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15,19H,7-8,16H2,(H,17,18)
InChIKeyJCCIOKBSPIPOML-UHFFFAOYSA-N
XLogP2.07
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
4-hydroxy-3-(methylamino)-4-naphthalen-2-ylbutanoic acid
CID 82348116
amino(naphthalen-2-yl)methanol
CID 57110079
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid?
The IUPAC name of 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid (CID 82348137) is 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid.
What is the SMILES notation for 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid?
The canonical SMILES for 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid is NC(CCC(=O)O)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid?
The InChIKey is JCCIOKBSPIPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c16-13(7-8-14(17)18)15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15,19H,7-8,16H2,(H,17,18).
What are the key properties of 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid?
4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid is sourced from PubChem (CID 82348137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).