methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate

C14H19NO2 — CID 43726172

IUPACmethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17-3)15-12-8-10-6-4-5-7-11(10)9-12/h4-7,12,15H,8-9H2,1-3H3
InChIKeyKTJYKXXEWLNZSH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate

methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate (PubChem CID 43726172) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
PubChem CID43726172
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17-3)15-12-8-10-6-4-5-7-11(10)9-12/h4-7,12,15H,8-9H2,1-3H3
InChIKeyKTJYKXXEWLNZSH-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 61178603
methyl 2-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43726050
methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
CID 104644358
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
CID 107851248
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
CID 43726137
methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
CID 107853787
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate (CID 43726172) is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate is COC(=O)C(C)(C)NC1Cc2ccccc2C1.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate?
The InChIKey is KTJYKXXEWLNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,13(16)17-3)15-12-8-10-6-4-5-7-11(10)9-12/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate?
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate is sourced from PubChem (CID 43726172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).