methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

C14H19NO4 — CID 11161407

IUPACmethyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H19NO4/c1-17-11-4-5-12(18-2)10-8-14(15,13(16)19-3)7-6-9(10)11/h4-5H,6-8,15H2,1-3H3/t14-/m1/s1
InChIKeyFJOHNAWIKHXDST-CQSZACIVSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds3

About methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 11161407) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID11161407
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H19NO4/c1-17-11-4-5-12(18-2)10-8-14(15,13(16)19-3)7-6-9(10)11/h4-5H,6-8,15H2,1-3H3/t14-/m1/s1
InChIKeyFJOHNAWIKHXDST-CQSZACIVSA-N
XLogP1.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13187696
ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660
2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine
CID 10263702
2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13300403
4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]
CID 90137521
methyl 1-(5-hydroxy-2-methoxyphenyl)cyclopropane-1-carboxylate
CID 105478906
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 11161407) is methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)[C@@]1(N)CCc2c(OC)ccc(OC)c2C1.
What is the InChIKey of methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is FJOHNAWIKHXDST-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-4-5-12(18-2)10-8-14(15,13(16)19-3)7-6-9(10)11/h4-5H,6-8,15H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 11161407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).