5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride

C11H18ClNO2S — CID 44827843

IUPAC5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride
SMILESCC(CCc1ccc(CN)s1)CC(=O)O.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-8(6-11(13)14)2-3-9-4-5-10(7-12)15-9;/h4-5,8H,2-3,6-7,12H2,1H3,(H,13,14);1H
InChIKeyKJBDXYFMCIUUHV-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.67
Rot. Bonds6

About 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride

5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride (PubChem CID 44827843) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride
PubChem CID44827843
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride
SMILESCC(CCc1ccc(CN)s1)CC(=O)O.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-8(6-11(13)14)2-3-9-4-5-10(7-12)15-9;/h4-5,8H,2-3,6-7,12H2,1H3,(H,13,14);1H
InChIKeyKJBDXYFMCIUUHV-UHFFFAOYSA-N
XLogP2.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride?
The IUPAC name of 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride (CID 44827843) is 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride?
The canonical SMILES for 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride is CC(CCc1ccc(CN)s1)CC(=O)O.Cl.
What is the InChIKey of 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride?
The InChIKey is KJBDXYFMCIUUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.ClH/c1-8(6-11(13)14)2-3-9-4-5-10(7-12)15-9;/h4-5,8H,2-3,6-7,12H2,1H3,(H,13,14);1H.
What are the key properties of 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride?
5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 44827843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).