butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate

C16H23NO2 — CID 60680631

IUPACbutyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-2-3-11-19-16(18)12-17-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,17H,2-3,6,8,10-12H2,1H3
InChIKeyUGNBRVPWIQBGTC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds6

About butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate

butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (PubChem CID 60680631) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
PubChem CID60680631
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namebutyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-2-3-11-19-16(18)12-17-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,17H,2-3,6,8,10-12H2,1H3
InChIKeyUGNBRVPWIQBGTC-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
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 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-butoxybenzoate
CID 2585306
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
butyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214494
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641

Frequently Asked Questions

What is the IUPAC name of butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The IUPAC name of butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (CID 60680631) is butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.
What is the SMILES notation for butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The canonical SMILES for butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is CCCCOC(=O)CNC1CCCc2ccccc21.
What is the InChIKey of butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The InChIKey is UGNBRVPWIQBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-11-19-16(18)12-17-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,17H,2-3,6,8,10-12H2,1H3.
What are the key properties of butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate has a molecular weight of 261.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is sourced from PubChem (CID 60680631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).