2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C11H13NO3 — CID 14598198

IUPAC2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(O)ccc2C1
InChIInChI=1S/C11H13NO3/c12-11(10(14)15)4-3-7-5-9(13)2-1-8(7)6-11/h1-2,5,13H,3-4,6,12H2,(H,14,15)
InChIKeyCTMHZHQGCDKLCQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.66
Rot. Bonds1

About 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 14598198) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID14598198
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(O)ccc2C1
InChIInChI=1S/C11H13NO3/c12-11(10(14)15)4-3-7-5-9(13)2-1-8(7)6-11/h1-2,5,13H,3-4,6,12H2,(H,14,15)
InChIKeyCTMHZHQGCDKLCQ-UHFFFAOYSA-N
XLogP0.66
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 14598198) is 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2cc(O)ccc2C1.
What is the InChIKey of 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is CTMHZHQGCDKLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(10(14)15)4-3-7-5-9(13)2-1-8(7)6-11/h1-2,5,13H,3-4,6,12H2,(H,14,15).
What are the key properties of 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 14598198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).