2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid

C14H15NO3 — CID 168884973

IUPAC2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
SMILESCC(c1ccc(O)c2ccccc12)C(N)C(=O)O
InChIInChI=1S/C14H15NO3/c1-8(13(15)14(17)18)9-6-7-12(16)11-5-3-2-4-10(9)11/h2-8,13,16H,15H2,1H3,(H,17,18)
InChIKeyIKYKUXGLMDGQIH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid

2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid (PubChem CID 168884973) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
PubChem CID168884973
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
SMILESCC(c1ccc(O)c2ccccc12)C(N)C(=O)O
InChIInChI=1S/C14H15NO3/c1-8(13(15)14(17)18)9-6-7-12(16)11-5-3-2-4-10(9)11/h2-8,13,16H,15H2,1H3,(H,17,18)
InChIKeyIKYKUXGLMDGQIH-UHFFFAOYSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
2-methylpropane;naphthalene-1,4-diol
CID 144756444
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
(E,4R,5S)-5-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-2-enoic acid
CID 23749489
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369
2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
CID 138535573
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol
CID 69256384

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid (CID 168884973) is 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid is CC(c1ccc(O)c2ccccc12)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid?
The InChIKey is IKYKUXGLMDGQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(13(15)14(17)18)9-6-7-12(16)11-5-3-2-4-10(9)11/h2-8,13,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid?
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 168884973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).