methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate

C10H14N2O2 — CID 83878869

IUPACmethyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(N)[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h12H,2-5,11H2,1H3
InChIKeyJHIDTPKYFMSWIF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.26
Rot. Bonds1

About methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate

methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate (PubChem CID 83878869) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
PubChem CID83878869
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(N)[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h12H,2-5,11H2,1H3
InChIKeyJHIDTPKYFMSWIF-UHFFFAOYSA-N
XLogP1.26
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate (CID 83878869) is methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate is COC(=O)c1c(N)[nH]c2c1CCCC2.
What is the InChIKey of methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The InChIKey is JHIDTPKYFMSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h12H,2-5,11H2,1H3.
What are the key properties of methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate is sourced from PubChem (CID 83878869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).