methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate

C16H23NO2 — CID 124564597

IUPACmethyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
SMILESCOC(=O)CCCN(C)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-17(11-5-8-16(18)19-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyQESAYUVFNJWALU-OAHLLOKOSA-N
MW261.37 g/mol
LogP2.43
Rot. Bonds5

About methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate

methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate (PubChem CID 124564597) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
PubChem CID124564597
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
SMILESCOC(=O)CCCN(C)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-17(11-5-8-16(18)19-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyQESAYUVFNJWALU-OAHLLOKOSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
CID 62305600
methyl 4-[methyl(spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl)amino]butanoate
CID 59416862
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
N-methyl-4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 119787273
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
CID 106901292
methyl 4-[(4-aminocyclohexyl)-methylamino]butanoate;dihydrochloride
CID 70135287
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753
2-[2-[[(4-methoxy-4-oxobutyl)-methylamino]methyl]phenyl]acetic acid
CID 115463313
methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate
CID 61446295
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate (CID 124564597) is methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate is COC(=O)CCCN(C)[C@@H]1CCc2ccccc2C1.
What is the InChIKey of methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate?
The InChIKey is QESAYUVFNJWALU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(11-5-8-16(18)19-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,5,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate?
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate has a molecular weight of 261.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate is sourced from PubChem (CID 124564597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).