methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate

C17H23NO3 — CID 169061042

IUPACmethyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate
SMILESC=C(OCC)c1ccc2c(c1)CC(NCCC(=O)OC)C2
InChIInChI=1S/C17H23NO3/c1-4-21-12(2)13-5-6-14-10-16(11-15(14)9-13)18-8-7-17(19)20-3/h5-6,9,16,18H,2,4,7-8,10-11H2,1,3H3
InChIKeyNSGJYPBCNGOUKQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.31
Rot. Bonds7

About methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate

methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate (PubChem CID 169061042) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate
PubChem CID169061042
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate
SMILESC=C(OCC)c1ccc2c(c1)CC(NCCC(=O)OC)C2
InChIInChI=1S/C17H23NO3/c1-4-21-12(2)13-5-6-14-10-16(11-15(14)9-13)18-8-7-17(19)20-3/h5-6,9,16,18H,2,4,7-8,10-11H2,1,3H3
InChIKeyNSGJYPBCNGOUKQ-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
CID 107853772
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
CID 115510557
propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate
CID 169061045
ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate
CID 66674826
ethyl 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoate
CID 91173262
7-(1-ethoxyethenyl)-4H-chromen-3-one
CID 167680713
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
CID 114161759

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate (CID 169061042) is methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate is C=C(OCC)c1ccc2c(c1)CC(NCCC(=O)OC)C2.
What is the InChIKey of methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate?
The InChIKey is NSGJYPBCNGOUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-21-12(2)13-5-6-14-10-16(11-15(14)9-13)18-8-7-17(19)20-3/h5-6,9,16,18H,2,4,7-8,10-11H2,1,3H3.
What are the key properties of methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate?
methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate has a molecular weight of 289.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-2-yl]amino]propanoate is sourced from PubChem (CID 169061042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).