methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C12H13Cl2NO2 — CID 70448716

IUPACmethyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cc(Cl)c(Cl)cc2[C@@H](N)C1
InChIInChI=1S/C12H13Cl2NO2/c1-17-12(16)7-2-6-3-9(13)10(14)5-8(6)11(15)4-7/h3,5,7,11H,2,4,15H2,1H3/t7-,11+/m1/s1
InChIKeyUMEFHPLRKOPYLS-HQJQHLMTSA-N
MW274.15 g/mol
LogP2.73
Rot. Bonds1

About methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 70448716) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID70448716
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Namemethyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cc(Cl)c(Cl)cc2[C@@H](N)C1
InChIInChI=1S/C12H13Cl2NO2/c1-17-12(16)7-2-6-3-9(13)10(14)5-8(6)11(15)4-7/h3,5,7,11H,2,4,15H2,1H3/t7-,11+/m1/s1
InChIKeyUMEFHPLRKOPYLS-HQJQHLMTSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 13318377
methyl 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 13318364
methyl (2S,4S)-4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54204420
methyl 4-(2-amino-2-oxoethyl)-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 57213562
methyl (2S,4S)-4-amino-7,8-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54027113
methyl 4-amino-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylate
CID 83915744
4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 70448730
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
methyl 1-(2-amino-4,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694490
methyl 3-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxylate
CID 139381558
trans-methyl (1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylate
CID 129411840
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 70448716) is methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)[C@@H]1Cc2cc(Cl)c(Cl)cc2[C@@H](N)C1.
What is the InChIKey of methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is UMEFHPLRKOPYLS-HQJQHLMTSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-17-12(16)7-2-6-3-9(13)10(14)5-8(6)11(15)4-7/h3,5,7,11H,2,4,15H2,1H3/t7-,11+/m1/s1.
What are the key properties of methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 274.15 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 70448716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).