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

C13H17NO2 — CID 19794096

IUPACmethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,14H,4,6,8-9H2,1H3
InChIKeyDXGGLGASRBTSTJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds3

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

methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (PubChem CID 19794096) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
PubChem CID19794096
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,14H,4,6,8-9H2,1H3
InChIKeyDXGGLGASRBTSTJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 60680631
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918
dimethyl 5-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 3882933
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The IUPAC name of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (CID 19794096) is methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The canonical SMILES for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is COC(=O)CNC1CCCc2ccccc21.
What is the InChIKey of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The InChIKey is DXGGLGASRBTSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,14H,4,6,8-9H2,1H3.
What are the key properties of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate has a molecular weight of 219.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is sourced from PubChem (CID 19794096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).