methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate

C16H23NO2 — CID 100664309

IUPACmethyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
SMILESCOC(=O)CCCCN(C)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-17(12-6-5-9-16(18)19-2)15-11-10-13-7-3-4-8-14(13)15/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m0/s1
InChIKeyHOSZLPBVIHSVMG-HNNXBMFYSA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds6

About methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate

methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate (PubChem CID 100664309) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
PubChem CID100664309
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
SMILESCOC(=O)CCCCN(C)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-17(12-6-5-9-16(18)19-2)15-11-10-13-7-3-4-8-14(13)15/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m0/s1
InChIKeyHOSZLPBVIHSVMG-HNNXBMFYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95149953
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(2,3-dihydro-1H-inden-1-yl)amino]butanoate
CID 139942235
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 134052147
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 34201453
2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
CID 30344627
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate?
The IUPAC name of methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate (CID 100664309) is methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate.
What is the SMILES notation for methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate?
The canonical SMILES for methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate is COC(=O)CCCCN(C)[C@H]1CCc2ccccc21.
What is the InChIKey of methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate?
The InChIKey is HOSZLPBVIHSVMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(12-6-5-9-16(18)19-2)15-11-10-13-7-3-4-8-14(13)15/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate?
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate has a molecular weight of 261.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate is sourced from PubChem (CID 100664309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).