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

C16H21NO3 — CID 106703666

IUPACethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c1-3-20-15(18)8-9-17(2)16(19)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHOHNFDIGODNAI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.81
Rot. Bonds5

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

ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate (PubChem CID 106703666) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
PubChem CID106703666
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c1-3-20-15(18)8-9-17(2)16(19)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHOHNFDIGODNAI-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 3-[methyl-[(2R,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 167777680
methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
CID 106703120
ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
CID 106901292
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892918

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate (CID 106703666) is ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate is CCOC(=O)CCN(C)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate?
The InChIKey is KHOHNFDIGODNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-20-15(18)8-9-17(2)16(19)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate?
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate is sourced from PubChem (CID 106703666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).