2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid

C14H15NO3 — CID 43135176

IUPAC2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1ccc2ccccc2c1O
InChIInChI=1S/C14H15NO3/c1-9(15-8-13(16)17)11-7-6-10-4-2-3-5-12(10)14(11)18/h2-7,9,15,18H,8H2,1H3,(H,16,17)
InChIKeyXJSAEERQSQLVLF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid

2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid (PubChem CID 43135176) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
PubChem CID43135176
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1ccc2ccccc2c1O
InChIInChI=1S/C14H15NO3/c1-9(15-8-13(16)17)11-7-6-10-4-2-3-5-12(10)14(11)18/h2-7,9,15,18H,8H2,1H3,(H,16,17)
InChIKeyXJSAEERQSQLVLF-UHFFFAOYSA-N
XLogP2.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol
CID 131854781
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 104582863
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid (CID 43135176) is 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid is CC(NCC(=O)O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid?
The InChIKey is XJSAEERQSQLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(15-8-13(16)17)11-7-6-10-4-2-3-5-12(10)14(11)18/h2-7,9,15,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid?
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid is sourced from PubChem (CID 43135176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).