ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate

C16H19NO2 — CID 171228563

IUPACethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
SMILESCCOC(=O)C[C@H](N)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-16(18)10-15(17)14-9-8-11(2)12-6-4-5-7-13(12)14/h4-9,15H,3,10,17H2,1-2H3/t15-/m0/s1
InChIKeyUPPSFOATEGWRPZ-HNNXBMFYSA-N
MW257.33 g/mol
LogP3.10
Rot. Bonds4

About ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate

ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate (PubChem CID 171228563) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
PubChem CID171228563
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
SMILESCCOC(=O)C[C@H](N)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-16(18)10-15(17)14-9-8-11(2)12-6-4-5-7-13(12)14/h4-9,15H,3,10,17H2,1-2H3/t15-/m0/s1
InChIKeyUPPSFOATEGWRPZ-HNNXBMFYSA-N
XLogP3.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate (CID 171228563) is ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate is CCOC(=O)C[C@H](N)c1ccc(C)c2ccccc12.
What is the InChIKey of ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate?
The InChIKey is UPPSFOATEGWRPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16(18)10-15(17)14-9-8-11(2)12-6-4-5-7-13(12)14/h4-9,15H,3,10,17H2,1-2H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate?
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate has a molecular weight of 257.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate is sourced from PubChem (CID 171228563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).