methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate

C13H18N2O2 — CID 82538053

IUPACmethyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2O2/c1-14-7-6-10-8-11(4-5-12(10)14)15(2)9-13(16)17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyYKGVYYNOTKZPRR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate

methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate (PubChem CID 82538053) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
PubChem CID82538053
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2O2/c1-14-7-6-10-8-11(4-5-12(10)14)15(2)9-13(16)17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyYKGVYYNOTKZPRR-UHFFFAOYSA-N
XLogP1.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
N-(2-hydroxyethyl)-N,1-dimethyl-2,3-dihydroindole-5-carboxamide
CID 110485469
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
methyl 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116997109
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451
3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid
CID 117099675
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate
CID 115232732
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
2-[[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]acetic acid
CID 117099647

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate (CID 82538053) is methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate is COC(=O)CN(C)c1ccc2c(c1)CCN2C.
What is the InChIKey of methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate?
The InChIKey is YKGVYYNOTKZPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-7-6-10-8-11(4-5-12(10)14)15(2)9-13(16)17-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate?
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate has a molecular weight of 234.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate is sourced from PubChem (CID 82538053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).