methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate

C12H13N3O2 — CID 11195606

IUPACmethyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N=[N+]=[N-])CCc2ccccc2C1
InChIInChI=1S/C12H13N3O2/c1-17-11(16)12(14-15-13)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyYYSSQPFPASZVSP-GFCCVEGCSA-N
MW231.25 g/mol
LogP2.40
Rot. Bonds2

About methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 11195606) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID11195606
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@@]1(N=[N+]=[N-])CCc2ccccc2C1
InChIInChI=1S/C12H13N3O2/c1-17-11(16)12(14-15-13)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyYYSSQPFPASZVSP-GFCCVEGCSA-N
XLogP2.40
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-azidopropylamino)-2,3-dihydroindene-1-carboxylate
CID 66189713
methyl 1-(2-azidoethylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 66191017
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
methyl 1-[2-(azidomethyl)phenyl]cyclopropane-1-carboxylate
CID 175033611
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377
tetramethyl (8E)-8-(4-chlorophenyl)-5,7,10,12-tetrahydrobenzo[10]annulene-6,6,11,11-tetracarboxylate
CID 101479721
methyl (3S)-2'-oxospiro[2,4-dihydro-1H-naphthalene-3,4'-cyclopentane]-1'-carboxylate
CID 155336796

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 11195606) is methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)[C@@]1(N=[N+]=[N-])CCc2ccccc2C1.
What is the InChIKey of methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is YYSSQPFPASZVSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11(16)12(14-15-13)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-azido-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 11195606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).