methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate

C14H17NO3 — CID 106703120

IUPACmethyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17NO3/c1-15(9-13(16)18-2)14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3
InChIKeyJMRVPQHKUBXNKF-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.03
Rot. Bonds3

About methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate

methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate (PubChem CID 106703120) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
PubChem CID106703120
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17NO3/c1-15(9-13(16)18-2)14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3
InChIKeyJMRVPQHKUBXNKF-UHFFFAOYSA-N
XLogP1.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
CID 106901292
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906
3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550402
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892918
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate (CID 106703120) is methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate?
The InChIKey is JMRVPQHKUBXNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15(9-13(16)18-2)14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate?
methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate has a molecular weight of 247.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 106703120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).