methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride

C10H16ClNO2S — CID 171243576

IUPACmethyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
SMILESCCc1ccc([C@@H](N)CC(=O)OC)s1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-3-7-4-5-9(14-7)8(11)6-10(12)13-2;/h4-5,8H,3,6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyLVYYCUCGYLRMTM-QRPNPIFTSA-N
MW249.76 g/mol
LogP2.30
Rot. Bonds4

About methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride

methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride (PubChem CID 171243576) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
PubChem CID171243576
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Namemethyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
SMILESCCc1ccc([C@@H](N)CC(=O)OC)s1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-3-7-4-5-9(14-7)8(11)6-10(12)13-2;/h4-5,8H,3,6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyLVYYCUCGYLRMTM-QRPNPIFTSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860644
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
CID 61329151
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride (CID 171243576) is methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride is CCc1ccc([C@@H](N)CC(=O)OC)s1.Cl.
What is the InChIKey of methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride?
The InChIKey is LVYYCUCGYLRMTM-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-3-7-4-5-9(14-7)8(11)6-10(12)13-2;/h4-5,8H,3,6,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride?
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 171243576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).