ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate

C15H21NO2 — CID 18651769

IUPACethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)C[C@H](N)CC2
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11/h3,5,9,14H,2,4,6-8,10,16H2,1H3/t14-/m1/s1
InChIKeyISNYSAOUCBGLBL-CQSZACIVSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds4

About ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate

ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate (PubChem CID 18651769) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
PubChem CID18651769
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)C[C@H](N)CC2
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11/h3,5,9,14H,2,4,6-8,10,16H2,1H3/t14-/m1/s1
InChIKeyISNYSAOUCBGLBL-CQSZACIVSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthylalanine
CID 185915
D-3-(2-Naphthyl)alanine
CID 2733661
alpha-Amino-2-naphthalenepropanoic acid
CID 250399
Ethyl 3-amino-3-(4-methylphenyl)propanoate
CID 577817
(2R,4S)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride
CID 25017086
Ethyl 3-amino-5-phenylpentanoate
CID 15696575
(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid hydrochloride
CID 44630411
methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate hydrochloride
CID 45357110
methyl (2S)-2-amino-3-(naphthalen-2-yl)propanoate hydrochloride
CID 56777259
(S)-3-amino-4-(naphthalen-2-yl)butanoic acid
CID 2761622
(2S)-2-azaniumyl-3-naphthalen-2-ylpropanoate
CID 6927613
(2S)-2-azaniumyl-3-naphthalen-1-ylpropanoate
CID 6950503

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate?
The IUPAC name of ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate (CID 18651769) is ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate is CCOC(=O)CCc1ccc2c(c1)C[C@H](N)CC2.
What is the InChIKey of ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate?
The InChIKey is ISNYSAOUCBGLBL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11/h3,5,9,14H,2,4,6-8,10,16H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate?
ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate is sourced from PubChem (CID 18651769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).