methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate

C15H21NO2 — CID 166126168

IUPACmethyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
SMILESCOC(=O)CCCCc1cccc2c1CC(N)C2
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-3-2-5-11-6-4-7-12-9-13(16)10-14(11)12/h4,6-7,13H,2-3,5,8-10,16H2,1H3
InChIKeyBPUYDAVFRQVGLG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds5

About methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate

methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate (PubChem CID 166126168) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
PubChem CID166126168
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
SMILESCOC(=O)CCCCc1cccc2c1CC(N)C2
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-3-2-5-11-6-4-7-12-9-13(16)10-14(11)12/h4,6-7,13H,2-3,5,8-10,16H2,1H3
InChIKeyBPUYDAVFRQVGLG-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
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-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate
CID 166126095
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125661
methyl 4-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 166125883
ethyl 4-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)butanoate
CID 166125748
3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide
CID 67424820
ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125643
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
ethyl 4-(2-amino-5-methoxy-2,3-dihydro-1H-inden-4-yl)butanoate
CID 167179376
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
CID 166125808

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate?
The IUPAC name of methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate (CID 166126168) is methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate?
The canonical SMILES for methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate is COC(=O)CCCCc1cccc2c1CC(N)C2.
What is the InChIKey of methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate?
The InChIKey is BPUYDAVFRQVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)8-3-2-5-11-6-4-7-12-9-13(16)10-14(11)12/h4,6-7,13H,2-3,5,8-10,16H2,1H3.
What are the key properties of methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate?
methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate has a molecular weight of 247.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate is sourced from PubChem (CID 166126168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).