methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate

C16H21NO3 — CID 60645922

IUPACmethyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOKSVIJGPPNEYIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate

methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate (PubChem CID 60645922) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
PubChem CID60645922
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOKSVIJGPPNEYIW-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
methyl (2S)-2-(2,4-difluorophenyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetate
CID 97062441
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate (CID 60645922) is methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate?
The InChIKey is OKSVIJGPPNEYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate?
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60645922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).