5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride

C10H16ClNO2S — CID 53297739

IUPAC5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride
SMILESCC(CCc1sccc1N)CC(=O)O.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-7(6-10(12)13)2-3-9-8(11)4-5-14-9;/h4-5,7H,2-3,6,11H2,1H3,(H,12,13);1H
InChIKeyWVMQQGRQYGWGBU-UHFFFAOYSA-N
MW249.76 g/mol
LogP2.80
Rot. Bonds5

About 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride

5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride (PubChem CID 53297739) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride
PubChem CID53297739
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride
SMILESCC(CCc1sccc1N)CC(=O)O.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-7(6-10(12)13)2-3-9-8(11)4-5-14-9;/h4-5,7H,2-3,6,11H2,1H3,(H,12,13);1H
InChIKeyWVMQQGRQYGWGBU-UHFFFAOYSA-N
XLogP2.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride?
The IUPAC name of 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride (CID 53297739) is 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride?
The canonical SMILES for 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride is CC(CCc1sccc1N)CC(=O)O.Cl.
What is the InChIKey of 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride?
The InChIKey is WVMQQGRQYGWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-7(6-10(12)13)2-3-9-8(11)4-5-14-9;/h4-5,7H,2-3,6,11H2,1H3,(H,12,13);1H.
What are the key properties of 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride?
5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 53297739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).