methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate

C15H20N2O3 — CID 60591298

IUPACmethyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-14(18)8-4-5-10-16-15(19)17-11-9-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,19)
InChIKeyBMKDFEVLDPQLLD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds5

About methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate

methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate (PubChem CID 60591298) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
PubChem CID60591298
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-14(18)8-4-5-10-16-15(19)17-11-9-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,19)
InChIKeyBMKDFEVLDPQLLD-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate?
The IUPAC name of methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate (CID 60591298) is methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate.
What is the SMILES notation for methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate?
The canonical SMILES for methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate is COC(=O)CCCCNC(=O)N1CCc2ccccc21.
What is the InChIKey of methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate?
The InChIKey is BMKDFEVLDPQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-14(18)8-4-5-10-16-15(19)17-11-9-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,19).
What are the key properties of methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate?
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate has a molecular weight of 276.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate is sourced from PubChem (CID 60591298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).