ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

C14H19NO2 — CID 129387633

IUPACethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](N)Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)9-11-8-12(15)7-10-5-3-4-6-13(10)11/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1
InChIKeyYSXADBVBEVTXSE-VXGBXAGGSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (PubChem CID 129387633) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
PubChem CID129387633
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](N)Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)9-11-8-12(15)7-10-5-3-4-6-13(10)11/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1
InChIKeyYSXADBVBEVTXSE-VXGBXAGGSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (CID 129387633) is ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is CCOC(=O)C[C@H]1C[C@H](N)Cc2ccccc21.
What is the InChIKey of ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The InChIKey is YSXADBVBEVTXSE-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)9-11-8-12(15)7-10-5-3-4-6-13(10)11/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1.
What are the key properties of ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is sourced from PubChem (CID 129387633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).