methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate

C14H16N2O2 — CID 99996425

IUPACmethyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2c(n(C)c3ccc(N)cc23)C1
InChIInChI=1S/C14H16N2O2/c1-16-12-4-3-9(15)7-11(12)10-5-8(6-13(10)16)14(17)18-2/h3-4,7-8H,5-6,15H2,1-2H3/t8-/m1/s1
InChIKeyMVXGWUIXWKPHEQ-MRVPVSSYSA-N
MW244.29 g/mol
LogP1.65
Rot. Bonds1

About methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate

methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate (PubChem CID 99996425) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
PubChem CID99996425
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2c(n(C)c3ccc(N)cc23)C1
InChIInChI=1S/C14H16N2O2/c1-16-12-4-3-9(15)7-11(12)10-5-8(6-13(10)16)14(17)18-2/h3-4,7-8H,5-6,15H2,1-2H3/t8-/m1/s1
InChIKeyMVXGWUIXWKPHEQ-MRVPVSSYSA-N
XLogP1.65
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate?
The IUPAC name of methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate (CID 99996425) is methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate.
What is the SMILES notation for methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate?
The canonical SMILES for methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate is COC(=O)[C@@H]1Cc2c(n(C)c3ccc(N)cc23)C1.
What is the InChIKey of methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate?
The InChIKey is MVXGWUIXWKPHEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-12-4-3-9(15)7-11(12)10-5-8(6-13(10)16)14(17)18-2/h3-4,7-8H,5-6,15H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate?
methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate is sourced from PubChem (CID 99996425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).