methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate

C15H21NO2 — CID 171725916

IUPACmethyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
SMILESCOC(=O)CCCCNC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-4-5-9-16-14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14,16H,4-5,8-11H2,1H3
InChIKeyHGBCDBMWNFWKNS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds6

About methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate

methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate (PubChem CID 171725916) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
PubChem CID171725916
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
SMILESCOC(=O)CCCCNC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-4-5-9-16-14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14,16H,4-5,8-11H2,1H3
InChIKeyHGBCDBMWNFWKNS-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
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 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
CID 3030975
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
CID 62305600
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
CID 107853772

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate?
The IUPAC name of methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate (CID 171725916) is methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate.
What is the SMILES notation for methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate?
The canonical SMILES for methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate is COC(=O)CCCCNC1Cc2ccccc2C1.
What is the InChIKey of methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate?
The InChIKey is HGBCDBMWNFWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)8-4-5-9-16-14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14,16H,4-5,8-11H2,1H3.
What are the key properties of methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate?
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate has a molecular weight of 247.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate is sourced from PubChem (CID 171725916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).