methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate

C10H14N2O2 — CID 14104600

IUPACmethyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate
SMILESCOC(=O)c1c2c(cn1N)CCCC2
InChIInChI=1S/C10H14N2O2/c1-14-10(13)9-8-5-3-2-4-7(8)6-12(9)11/h6H,2-5,11H2,1H3
InChIKeySQIKCWGNFKRUJA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.87
Rot. Bonds1

About methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate

methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate (PubChem CID 14104600) 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-tetrahydroisoindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate
PubChem CID14104600
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate
SMILESCOC(=O)c1c2c(cn1N)CCCC2
InChIInChI=1S/C10H14N2O2/c1-14-10(13)9-8-5-3-2-4-7(8)6-12(9)11/h6H,2-5,11H2,1H3
InChIKeySQIKCWGNFKRUJA-UHFFFAOYSA-N
XLogP0.87
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-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

Ethyl 4,5,6,7-Tetrahydroisoindole-1-carboxylate
CID 10035498
methyl 2H-isoindole-1-carboxylate
CID 324283
Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylate
CID 378982
4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid
CID 10329645
Methyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
CID 10375007
1H-Pyrrole-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester
CID 10704591
4,7-Ethano-2H-isoindole-1-carboxylic acid, 4,7-dihydro-, ethyl ester
CID 12116659
Methyl 2-methyl-2H-isoindole-1-carboxylate
CID 324284
Methyl 2-benzyl-2H-isoindole-1-carboxylate
CID 324285
Ethyl 3,4-diethyl-1H-pyrrole-2-carboxylate
CID 2762540
Methyl 4,5,6,7-tetrahydro-2-methyl-2H-isoindole-1-carboxylate
CID 12278926
Ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
CID 14057066

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate?
The IUPAC name of methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate (CID 14104600) is methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate.
What is the SMILES notation for methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate?
The canonical SMILES for methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate is COC(=O)c1c2c(cn1N)CCCC2.
What is the InChIKey of methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate?
The InChIKey is SQIKCWGNFKRUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-10(13)9-8-5-3-2-4-7(8)6-12(9)11/h6H,2-5,11H2,1H3.
What are the key properties of methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate?
methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate is sourced from PubChem (CID 14104600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).