methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate

C12H14BrNO2 — CID 58466875

IUPACmethyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2ccc(Br)cc2C1
InChIInChI=1S/C12H14BrNO2/c1-16-11(15)12(14)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7,14H2,1H3/t12-/m1/s1
InChIKeyQMDVXERXXRYPFX-GFCCVEGCSA-N
MW284.15 g/mol
LogP1.81
Rot. Bonds1

About methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 58466875) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID58466875
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2ccc(Br)cc2C1
InChIInChI=1S/C12H14BrNO2/c1-16-11(15)12(14)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7,14H2,1H3/t12-/m1/s1
InChIKeyQMDVXERXXRYPFX-GFCCVEGCSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
methyl 7-bromo-2'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-oxirane]-2'-carboxylate
CID 79298958
methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 11161407
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
CID 170008442
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 58466875) is methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)[C@@]1(N)CCc2ccc(Br)cc2C1.
What is the InChIKey of methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is QMDVXERXXRYPFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-11(15)12(14)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7,14H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 284.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 58466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).