methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride

C10H15Cl2NO2S — CID 171247427

IUPACmethyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@@H](N)c1sccc1Cl.Cl
InChIInChI=1S/C10H14ClNO2S.ClH/c1-10(2,9(13)14-3)8(12)7-6(11)4-5-15-7;/h4-5,8H,12H2,1-3H3;1H/t8-;/m0./s1
InChIKeyARZDKANHWOQYOU-QRPNPIFTSA-N
MW284.21 g/mol
LogP3.02
Rot. Bonds3

About methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride

methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride (PubChem CID 171247427) has the molecular formula C10H15Cl2NO2S and a molecular weight of 284.21 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride
PubChem CID171247427
Molecular FormulaC10H15Cl2NO2S
Molecular Weight284.21 g/mol
Exact Mass283.02
IUPAC Namemethyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@@H](N)c1sccc1Cl.Cl
InChIInChI=1S/C10H14ClNO2S.ClH/c1-10(2,9(13)14-3)8(12)7-6(11)4-5-15-7;/h4-5,8H,12H2,1-3H3;1H/t8-;/m0./s1
InChIKeyARZDKANHWOQYOU-QRPNPIFTSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride (CID 171247427) is methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride is COC(=O)C(C)(C)[C@@H](N)c1sccc1Cl.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride?
The InChIKey is ARZDKANHWOQYOU-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14ClNO2S.ClH/c1-10(2,9(13)14-3)8(12)7-6(11)4-5-15-7;/h4-5,8H,12H2,1-3H3;1H/t8-;/m0./s1.
What are the key properties of methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride?
methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride has a molecular weight of 284.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(3-chlorothiophen-2-yl)-2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 171247427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).