(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C22H21NO3 — CID 155804444

IUPAC(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2ccc(OCc3cccc4ccccc34)cc2C1
InChIInChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1
InChIKeyHRZHVSYWPDDNHF-QFIPXVFZSA-N
MW347.41 g/mol
LogP3.69
Rot. Bonds4

About (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 155804444) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID155804444
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2ccc(OCc3cccc4ccccc34)cc2C1
InChIInChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1
InChIKeyHRZHVSYWPDDNHF-QFIPXVFZSA-N
XLogP3.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 155804444) is (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is N[C@@]1(C(=O)O)CCc2ccc(OCc3cccc4ccccc34)cc2C1.
What is the InChIKey of (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is HRZHVSYWPDDNHF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 155804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).